From 841cba12cb46b3c9b9ffddf30c196ef5395860cf Mon Sep 17 00:00:00 2001 From: Daniele Rapetti Date: Fri, 12 May 2023 10:28:50 +0200 Subject: [PATCH 1/9] PLUMED_REGISTER_ACTION overhaul, plus sed applied to the actions --- regtest/basic/rt15/Distance2.cpp | 2 +- src/adjmat/ClusterDiameter.cpp | 2 +- src/adjmat/ClusterDistribution.cpp | 2 +- src/adjmat/ClusterProperties.cpp | 2 +- src/adjmat/ClusterSize.cpp | 2 +- src/adjmat/ClusterWithSurface.cpp | 2 +- src/adjmat/ContactAlignedMatrix.cpp | 2 +- src/adjmat/ContactMatrix.cpp | 2 +- src/adjmat/DFSClustering.cpp | 2 +- src/adjmat/DumpGraph.cpp | 2 +- src/adjmat/HbondMatrix.cpp | 2 +- src/adjmat/MatrixColumnSums.cpp | 2 +- src/adjmat/MatrixRowSums.cpp | 2 +- src/adjmat/OutputCluster.cpp | 2 +- src/adjmat/SMACMatrix.cpp | 2 +- src/adjmat/Sprint.cpp | 2 +- src/adjmat/TopologyMatrix.cpp | 2 +- src/analysis/Average.cpp | 2 +- src/analysis/Committor.cpp | 2 +- src/analysis/EuclideanDissimilarityMatrix.cpp | 2 +- src/analysis/FarthestPointSampling.cpp | 2 +- src/analysis/Histogram.cpp | 2 +- src/analysis/LandmarkStaged.cpp | 2 +- src/analysis/OutputColvarFile.cpp | 2 +- src/analysis/OutputPDBFile.cpp | 2 +- src/analysis/PrintDissimilarityMatrix.cpp | 2 +- src/analysis/ReadAnalysisFrames.cpp | 2 +- src/analysis/ReadDissimilarityMatrix.cpp | 2 +- src/analysis/ReselectLandmarks.cpp | 2 +- src/analysis/SelectRandomFrames.cpp | 2 +- src/analysis/SelectWithStride.cpp | 2 +- src/analysis/WhamHistogram.cpp | 2 +- src/analysis/WhamWeights.cpp | 2 +- src/annfunc/ANN.cpp | 2 +- src/bias/ABMD.cpp | 2 +- src/bias/BiasValue.cpp | 2 +- src/bias/ExtendedLagrangian.cpp | 2 +- src/bias/External.cpp | 2 +- src/bias/LWalls.cpp | 2 +- src/bias/MaxEnt.cpp | 2 +- src/bias/MetaD.cpp | 2 +- src/bias/MovingRestraint.cpp | 2 +- src/bias/PBMetaD.cpp | 2 +- src/bias/Restraint.cpp | 2 +- src/bias/ReweightBias.cpp | 2 +- src/bias/ReweightMetad.cpp | 2 +- src/bias/ReweightTemperaturePressure.cpp | 2 +- src/bias/ReweightWham.cpp | 2 +- src/bias/UWalls.cpp | 2 +- src/colvar/Angle.cpp | 2 +- src/colvar/Cell.cpp | 2 +- src/colvar/Constant.cpp | 2 +- src/colvar/ContactMap.cpp | 2 +- src/colvar/Coordination.cpp | 2 +- src/colvar/DHEnergy.cpp | 2 +- src/colvar/DRMSD.cpp | 2 +- src/colvar/Dimer.cpp | 2 +- src/colvar/Dipole.cpp | 2 +- src/colvar/Distance.cpp | 2 +- src/colvar/EEFSolv.cpp | 2 +- src/colvar/ERMSD.cpp | 2 +- src/colvar/Energy.cpp | 2 +- src/colvar/ExtraCV.cpp | 2 +- src/colvar/Fake.cpp | 2 +- src/colvar/GHBFIX.cpp | 2 +- src/colvar/Gyration.cpp | 2 +- src/colvar/MultiRMSD.cpp | 2 +- src/colvar/PCARMSD.cpp | 2 +- src/colvar/PathMSD.cpp | 2 +- src/colvar/Position.cpp | 2 +- src/colvar/ProjectionOnAxis.cpp | 2 +- src/colvar/PropertyMap.cpp | 2 +- src/colvar/Puckering.cpp | 2 +- src/colvar/RMSD.cpp | 2 +- src/colvar/Template.cpp | 2 +- src/colvar/Torsion.cpp | 2 +- src/colvar/Volume.cpp | 2 +- src/config/asd | 9 ++++ src/core/ActionRegister.h | 48 +++++++++++++++++++ src/crystallization/BondOrientation.cpp | 2 +- src/crystallization/EnvironmentSimilarity.cpp | 2 +- src/crystallization/Fccubic.cpp | 2 +- src/crystallization/Gradient.cpp | 2 +- .../InterMolecularTorsions.cpp | 2 +- src/crystallization/MoleculeOrientation.cpp | 2 +- src/crystallization/MoleculePlane.cpp | 2 +- src/crystallization/PolymerAngles.cpp | 2 +- src/crystallization/Q3.cpp | 4 +- src/crystallization/Q4.cpp | 4 +- src/crystallization/Q6.cpp | 4 +- src/crystallization/SMAC.cpp | 2 +- src/crystallization/SimpleCubic.cpp | 2 +- src/crystallization/Tetrahedral.cpp | 2 +- .../ClassicalMultiDimensionalScaling.cpp | 2 +- src/dimred/OutputPCAProjections.cpp | 2 +- src/dimred/PCA.cpp | 2 +- src/dimred/ProjectNonLandmarkPoints.cpp | 2 +- src/dimred/SketchMap.cpp | 2 +- src/dimred/SketchMapConjGrad.cpp | 2 +- src/dimred/SketchMapPointwise.cpp | 2 +- src/dimred/SketchMapRead.cpp | 2 +- src/dimred/SketchMapSmacof.cpp | 2 +- src/dimred/SmacoffMDS.cpp | 2 +- src/drr/DynamicReferenceRestraining.cpp | 2 +- src/eds/EDS.cpp | 2 +- src/fisst/FISST.cpp | 2 +- src/function/Combine.cpp | 2 +- src/function/Custom.cpp | 4 +- src/function/Ensemble.cpp | 2 +- src/function/FuncPathGeneral.cpp | 2 +- src/function/FuncPathMSD.cpp | 2 +- src/function/FuncSumHills.cpp | 2 +- src/function/LocalEnsemble.cpp | 2 +- src/function/Piecewise.cpp | 2 +- src/function/Sort.cpp | 2 +- src/function/Stats.cpp | 2 +- src/function/Target.cpp | 2 +- src/funnel/FPS.cpp | 2 +- src/funnel/Funnel.cpp | 2 +- src/generic/Debug.cpp | 2 +- src/generic/DumpAtoms.cpp | 2 +- src/generic/DumpDerivatives.cpp | 2 +- src/generic/DumpForces.cpp | 2 +- src/generic/DumpMassCharge.cpp | 2 +- src/generic/DumpProjections.cpp | 2 +- src/generic/EffectiveEnergyDrift.cpp | 2 +- src/generic/EndPlumed.cpp | 2 +- src/generic/FitToTemplate.cpp | 2 +- src/generic/Flush.cpp | 2 +- src/generic/Group.cpp | 2 +- src/generic/Include.cpp | 2 +- src/generic/MolInfo.cpp | 2 +- src/generic/Plumed.cpp | 2 +- src/generic/Print.cpp | 2 +- src/generic/RandomExchanges.cpp | 2 +- src/generic/Read.cpp | 2 +- src/generic/ResetCell.cpp | 2 +- src/generic/Time.cpp | 2 +- src/generic/UpdateIf.cpp | 2 +- src/generic/WholeMolecules.cpp | 2 +- src/generic/WrapAround.cpp | 2 +- src/gridtools/ConvertToFES.cpp | 2 +- src/gridtools/DumpCube.cpp | 2 +- src/gridtools/DumpGrid.cpp | 2 +- src/gridtools/FindContour.cpp | 2 +- src/gridtools/FindContourSurface.cpp | 2 +- src/gridtools/FindSphericalContour.cpp | 2 +- src/gridtools/FourierTransform.cpp | 2 +- src/gridtools/GridToXYZ.cpp | 2 +- src/gridtools/IntegrateGrid.cpp | 2 +- src/gridtools/InterpolateGrid.cpp | 2 +- src/isdb/CS2Backbone.cpp | 2 +- src/isdb/Caliber.cpp | 2 +- src/isdb/EMMI.cpp | 2 +- src/isdb/FretEfficiency.cpp | 2 +- src/isdb/Jcoupling.cpp | 2 +- src/isdb/Metainference.cpp | 2 +- src/isdb/NOE.cpp | 2 +- src/isdb/PRE.cpp | 2 +- src/isdb/RDC.cpp | 4 +- src/isdb/Rescale.cpp | 2 +- src/isdb/SAXS.cpp | 4 +- src/isdb/Select.cpp | 2 +- src/isdb/Selector.cpp | 2 +- src/logmfd/LogMFD.cpp | 2 +- src/manyrestraints/LWalls.cpp | 2 +- src/manyrestraints/UWalls.cpp | 2 +- src/mapping/AdaptivePath.cpp | 2 +- src/mapping/PCAVars.cpp | 2 +- src/mapping/Path.cpp | 2 +- src/mapping/PropertyMap.cpp | 2 +- src/maze/Loss.cpp | 2 +- src/maze/Memetic.cpp | 2 +- src/maze/Optimizer_Bias.cpp | 2 +- src/maze/Random_Acceleration_MD.cpp | 2 +- src/maze/Random_Walk.cpp | 2 +- src/maze/Simulated_Annealing.cpp | 2 +- src/maze/Steered_MD.cpp | 2 +- src/membranefusion/FusionPoreExpansionP.cpp | 2 +- src/membranefusion/FusionPoreNucleationP.cpp | 2 +- src/membranefusion/MemFusionP.cpp | 2 +- src/multicolvar/AlphaBeta.cpp | 2 +- src/multicolvar/Angles.cpp | 2 +- src/multicolvar/Bridge.cpp | 2 +- src/multicolvar/CenterOfMultiColvar.cpp | 2 +- src/multicolvar/CoordinationNumbers.cpp | 2 +- src/multicolvar/Density.cpp | 2 +- src/multicolvar/DihedralCorrelation.cpp | 2 +- src/multicolvar/DistanceFromContour.cpp | 2 +- src/multicolvar/Distances.cpp | 2 +- src/multicolvar/DumpMultiColvar.cpp | 2 +- src/multicolvar/FilterBetween.cpp | 4 +- src/multicolvar/FilterLessThan.cpp | 4 +- src/multicolvar/FilterMoreThan.cpp | 4 +- src/multicolvar/InPlaneDistances.cpp | 2 +- src/multicolvar/LocalAverage.cpp | 2 +- src/multicolvar/MultiColvarCombine.cpp | 2 +- src/multicolvar/MultiColvarDensity.cpp | 2 +- src/multicolvar/MultiColvarProduct.cpp | 2 +- src/multicolvar/NumberOfLinks.cpp | 2 +- src/multicolvar/Torsions.cpp | 2 +- src/multicolvar/VolumeAround.cpp | 2 +- src/multicolvar/VolumeBetweenContours.cpp | 2 +- src/multicolvar/VolumeCavity.cpp | 2 +- src/multicolvar/VolumeInCylinder.cpp | 2 +- src/multicolvar/VolumeInSphere.cpp | 2 +- src/multicolvar/VolumeTetrapore.cpp | 2 +- src/multicolvar/XAngle.cpp | 6 +-- src/multicolvar/XDistances.cpp | 6 +-- src/multicolvar/XYDistances.cpp | 6 +-- src/multicolvar/XYTorsion.cpp | 12 ++--- src/opes/ECVcustom.cpp | 2 +- src/opes/ECVlinear.cpp | 2 +- src/opes/ECVmultiThermal.cpp | 2 +- src/opes/ECVmultiThermalBaric.cpp | 2 +- src/opes/ECVumbrellasFile.cpp | 2 +- src/opes/ECVumbrellasLine.cpp | 2 +- src/opes/OPESexpanded.cpp | 2 +- src/opes/OPESmetad.cpp | 4 +- src/pamm/HBPammHydrogens.cpp | 2 +- src/pamm/HBPammMatrix.cpp | 2 +- src/pamm/PAMM.cpp | 2 +- src/piv/PIV.cpp | 2 +- src/pytorch/PytorchModel.cpp | 2 +- src/s2cm/S2ContactModel.cpp | 2 +- src/sasa/sasa_HASEL.cpp | 2 +- src/sasa/sasa_LCPO.cpp | 2 +- src/secondarystructure/AlphaRMSD.cpp | 2 +- src/secondarystructure/AntibetaRMSD.cpp | 2 +- src/secondarystructure/ParabetaRMSD.cpp | 2 +- src/setup/Load.cpp | 2 +- src/setup/Restart.cpp | 2 +- src/setup/Units.cpp | 2 +- src/vatom/Center.cpp | 4 +- src/vatom/FixedAtom.cpp | 2 +- src/vatom/Ghost.cpp | 2 +- src/ves/BF_Chebyshev.cpp | 2 +- src/ves/BF_Combined.cpp | 2 +- src/ves/BF_Cosine.cpp | 2 +- src/ves/BF_CubicBsplines.cpp | 2 +- src/ves/BF_Custom.cpp | 2 +- src/ves/BF_Fourier.cpp | 2 +- src/ves/BF_Gaussians.cpp | 2 +- src/ves/BF_Legendre.cpp | 2 +- src/ves/BF_Powers.cpp | 2 +- src/ves/BF_Sine.cpp | 2 +- src/ves/BF_Wavelets.cpp | 2 +- src/ves/Opt_Adam.cpp | 2 +- src/ves/Opt_BachAveragedSGD.cpp | 2 +- src/ves/Opt_Dummy.cpp | 2 +- src/ves/Opt_RobbinsMonroSGD.cpp | 2 +- src/ves/OutputBasisFunctions.cpp | 2 +- src/ves/OutputFesBias.cpp | 2 +- src/ves/OutputTargetDistribution.cpp | 2 +- src/ves/TD_Chi.cpp | 2 +- src/ves/TD_ChiSquared.cpp | 2 +- src/ves/TD_Custom.cpp | 2 +- src/ves/TD_Exponential.cpp | 2 +- src/ves/TD_ExponentiallyModifiedGaussian.cpp | 2 +- src/ves/TD_Gaussian.cpp | 2 +- src/ves/TD_GeneralizedExtremeValue.cpp | 2 +- src/ves/TD_GeneralizedNormal.cpp | 2 +- src/ves/TD_Grid.cpp | 2 +- src/ves/TD_LinearCombination.cpp | 2 +- src/ves/TD_Multicanonical.cpp | 2 +- src/ves/TD_MultithermalMultibaric.cpp | 2 +- src/ves/TD_ProductCombination.cpp | 2 +- src/ves/TD_ProductDistribution.cpp | 2 +- src/ves/TD_Uniform.cpp | 2 +- src/ves/TD_VonMises.cpp | 2 +- src/ves/TD_WellTempered.cpp | 2 +- src/ves/VesDeltaF.cpp | 2 +- src/ves/VesLinearExpansion.cpp | 2 +- 273 files changed, 350 insertions(+), 293 deletions(-) create mode 100644 src/config/asd diff --git a/regtest/basic/rt15/Distance2.cpp b/regtest/basic/rt15/Distance2.cpp index 3ff1f3562f..2529ca981d 100644 --- a/regtest/basic/rt15/Distance2.cpp +++ b/regtest/basic/rt15/Distance2.cpp @@ -40,7 +40,7 @@ class Distance : public colvar::Colvar { virtual void calculate(); }; -PLUMED_REGISTER_ACTION(Distance,"DISTANCE2") +PLUMED_REGISTER_ACTION(Distance,DISTANCE2) void Distance::registerKeywords( Keywords& keys ){ Colvar::registerKeywords( keys ); diff --git a/src/adjmat/ClusterDiameter.cpp b/src/adjmat/ClusterDiameter.cpp index aa67dce394..964929cc92 100644 --- a/src/adjmat/ClusterDiameter.cpp +++ b/src/adjmat/ClusterDiameter.cpp @@ -77,7 +77,7 @@ class ClusterDiameter : public ClusterAnalysisBase { void turnOnDerivatives() override; }; -PLUMED_REGISTER_ACTION(ClusterDiameter,"CLUSTER_DIAMETER") +PLUMED_REGISTER_ACTION(ClusterDiameter,CLUSTER_DIAMETER) void ClusterDiameter::registerKeywords( Keywords& keys ) { ClusterAnalysisBase::registerKeywords( keys ); diff --git a/src/adjmat/ClusterDistribution.cpp b/src/adjmat/ClusterDistribution.cpp index 5733eb8405..4d9fe36d5b 100644 --- a/src/adjmat/ClusterDistribution.cpp +++ b/src/adjmat/ClusterDistribution.cpp @@ -80,7 +80,7 @@ class ClusterDistribution : public ClusterAnalysisBase { void performTask( const unsigned&, const unsigned&, MultiValue& ) const override; }; -PLUMED_REGISTER_ACTION(ClusterDistribution,"CLUSTER_DISTRIBUTION") +PLUMED_REGISTER_ACTION(ClusterDistribution,CLUSTER_DISTRIBUTION) void ClusterDistribution::registerKeywords( Keywords& keys ) { ClusterAnalysisBase::registerKeywords( keys ); diff --git a/src/adjmat/ClusterProperties.cpp b/src/adjmat/ClusterProperties.cpp index 5739fd443b..376b901560 100644 --- a/src/adjmat/ClusterProperties.cpp +++ b/src/adjmat/ClusterProperties.cpp @@ -71,7 +71,7 @@ class ClusterProperties : public ClusterAnalysisBase { void performTask( const unsigned&, const unsigned&, MultiValue& ) const override; }; -PLUMED_REGISTER_ACTION(ClusterProperties,"CLUSTER_PROPERTIES") +PLUMED_REGISTER_ACTION(ClusterProperties,CLUSTER_PROPERTIES) void ClusterProperties::registerKeywords( Keywords& keys ) { ClusterAnalysisBase::registerKeywords( keys ); diff --git a/src/adjmat/ClusterSize.cpp b/src/adjmat/ClusterSize.cpp index 1f69058325..265493f69f 100644 --- a/src/adjmat/ClusterSize.cpp +++ b/src/adjmat/ClusterSize.cpp @@ -76,7 +76,7 @@ class ClusterSize : public ClusterAnalysisBase { void turnOnDerivatives() override; }; -PLUMED_REGISTER_ACTION(ClusterSize,"CLUSTER_NATOMS") +PLUMED_REGISTER_ACTION(ClusterSize,CLUSTER_NATOMS) void ClusterSize::registerKeywords( Keywords& keys ) { ClusterAnalysisBase::registerKeywords( keys ); diff --git a/src/adjmat/ClusterWithSurface.cpp b/src/adjmat/ClusterWithSurface.cpp index 780dd7ab95..2a7c7811ee 100644 --- a/src/adjmat/ClusterWithSurface.cpp +++ b/src/adjmat/ClusterWithSurface.cpp @@ -95,7 +95,7 @@ class ClusterWithSurface : public ClusteringBase { Vector getPositionOfAtomForLinkCells( const unsigned& taskIndex ) const override; }; -PLUMED_REGISTER_ACTION(ClusterWithSurface,"CLUSTER_WITHSURFACE") +PLUMED_REGISTER_ACTION(ClusterWithSurface,CLUSTER_WITHSURFACE) void ClusterWithSurface::registerKeywords( Keywords& keys ) { ClusteringBase::registerKeywords( keys ); diff --git a/src/adjmat/ContactAlignedMatrix.cpp b/src/adjmat/ContactAlignedMatrix.cpp index 4a5669b955..798560354c 100644 --- a/src/adjmat/ContactAlignedMatrix.cpp +++ b/src/adjmat/ContactAlignedMatrix.cpp @@ -84,7 +84,7 @@ class ContactAlignedMatrix : public AlignedMatrixBase { Vector& dconn, std::vector& dvec1, std::vector& dvec2 ) const override; }; -PLUMED_REGISTER_ACTION(ContactAlignedMatrix,"ALIGNED_MATRIX") +PLUMED_REGISTER_ACTION(ContactAlignedMatrix,ALIGNED_MATRIX) void ContactAlignedMatrix::registerKeywords( Keywords& keys ) { AlignedMatrixBase::registerKeywords( keys ); diff --git a/src/adjmat/ContactMatrix.cpp b/src/adjmat/ContactMatrix.cpp index 6e4b68496f..e0fe0f022d 100644 --- a/src/adjmat/ContactMatrix.cpp +++ b/src/adjmat/ContactMatrix.cpp @@ -80,7 +80,7 @@ class ContactMatrix : public AdjacencyMatrixBase { double compute( const unsigned& tindex, multicolvar::AtomValuePack& myatoms ) const override; }; -PLUMED_REGISTER_ACTION(ContactMatrix,"CONTACT_MATRIX") +PLUMED_REGISTER_ACTION(ContactMatrix,CONTACT_MATRIX) void ContactMatrix::registerKeywords( Keywords& keys ) { AdjacencyMatrixBase::registerKeywords( keys ); diff --git a/src/adjmat/DFSClustering.cpp b/src/adjmat/DFSClustering.cpp index aea152c059..7de9b955a2 100644 --- a/src/adjmat/DFSClustering.cpp +++ b/src/adjmat/DFSClustering.cpp @@ -91,7 +91,7 @@ class DFSClustering : public ClusteringBase { void performClustering() override; }; -PLUMED_REGISTER_ACTION(DFSClustering,"DFSCLUSTERING") +PLUMED_REGISTER_ACTION(DFSClustering,DFSCLUSTERING) void DFSClustering::registerKeywords( Keywords& keys ) { ClusteringBase::registerKeywords( keys ); diff --git a/src/adjmat/DumpGraph.cpp b/src/adjmat/DumpGraph.cpp index e7755ee8fd..3136d66986 100644 --- a/src/adjmat/DumpGraph.cpp +++ b/src/adjmat/DumpGraph.cpp @@ -60,7 +60,7 @@ class DumpGraph : public ActionPilot { void update() override; }; -PLUMED_REGISTER_ACTION(DumpGraph,"DUMPGRAPH") +PLUMED_REGISTER_ACTION(DumpGraph,DUMPGRAPH) void DumpGraph::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); ActionPilot::registerKeywords( keys ); diff --git a/src/adjmat/HbondMatrix.cpp b/src/adjmat/HbondMatrix.cpp index 887ec94ff3..d2b8571be2 100644 --- a/src/adjmat/HbondMatrix.cpp +++ b/src/adjmat/HbondMatrix.cpp @@ -104,7 +104,7 @@ class HBondMatrix : public AdjacencyMatrixBase { const double& ood_df, const double& ood_sw, multicolvar::AtomValuePack& myatoms ) const; }; -PLUMED_REGISTER_ACTION(HBondMatrix,"HBOND_MATRIX") +PLUMED_REGISTER_ACTION(HBondMatrix,HBOND_MATRIX) void HBondMatrix::registerKeywords( Keywords& keys ) { AdjacencyMatrixBase::registerKeywords( keys ); diff --git a/src/adjmat/MatrixColumnSums.cpp b/src/adjmat/MatrixColumnSums.cpp index a3775c2f41..a7a04ea939 100644 --- a/src/adjmat/MatrixColumnSums.cpp +++ b/src/adjmat/MatrixColumnSums.cpp @@ -72,7 +72,7 @@ class MatrixColumnSums : public ActionWithInputMatrix { double compute( const unsigned& tinded, multicolvar::AtomValuePack& myatoms ) const override; }; -PLUMED_REGISTER_ACTION(MatrixColumnSums,"COLUMNSUMS") +PLUMED_REGISTER_ACTION(MatrixColumnSums,COLUMNSUMS) void MatrixColumnSums::registerKeywords( Keywords& keys ) { ActionWithInputMatrix::registerKeywords( keys ); diff --git a/src/adjmat/MatrixRowSums.cpp b/src/adjmat/MatrixRowSums.cpp index 4905f9b0aa..d9ac488dec 100644 --- a/src/adjmat/MatrixRowSums.cpp +++ b/src/adjmat/MatrixRowSums.cpp @@ -72,7 +72,7 @@ class MatrixRowSums : public ActionWithInputMatrix { double compute( const unsigned& tinded, multicolvar::AtomValuePack& myatoms ) const override; }; -PLUMED_REGISTER_ACTION(MatrixRowSums,"ROWSUMS") +PLUMED_REGISTER_ACTION(MatrixRowSums,ROWSUMS) void MatrixRowSums::registerKeywords( Keywords& keys ) { ActionWithInputMatrix::registerKeywords( keys ); diff --git a/src/adjmat/OutputCluster.cpp b/src/adjmat/OutputCluster.cpp index 7fe7a3cd27..2c6b77544d 100644 --- a/src/adjmat/OutputCluster.cpp +++ b/src/adjmat/OutputCluster.cpp @@ -86,7 +86,7 @@ class OutputCluster : public ActionPilot { void update() override; }; -PLUMED_REGISTER_ACTION(OutputCluster,"OUTPUT_CLUSTER") +PLUMED_REGISTER_ACTION(OutputCluster,OUTPUT_CLUSTER) void OutputCluster::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/adjmat/SMACMatrix.cpp b/src/adjmat/SMACMatrix.cpp index bd4dede889..4df820e68f 100644 --- a/src/adjmat/SMACMatrix.cpp +++ b/src/adjmat/SMACMatrix.cpp @@ -92,7 +92,7 @@ class SMACMatrix : public AlignedMatrixBase { Vector& dconn, std::vector& dvec1, std::vector& dvec2 ) const override; }; -PLUMED_REGISTER_ACTION(SMACMatrix,"SMAC_MATRIX") +PLUMED_REGISTER_ACTION(SMACMatrix,SMAC_MATRIX) void SMACMatrix::registerKeywords( Keywords& keys ) { AlignedMatrixBase::registerKeywords( keys ); diff --git a/src/adjmat/Sprint.cpp b/src/adjmat/Sprint.cpp index d0c135883c..9da14d5dae 100644 --- a/src/adjmat/Sprint.cpp +++ b/src/adjmat/Sprint.cpp @@ -105,7 +105,7 @@ class Sprint : public ActionWithInputMatrix { void apply() override; }; -PLUMED_REGISTER_ACTION(Sprint,"SPRINT") +PLUMED_REGISTER_ACTION(Sprint,SPRINT) void Sprint::registerKeywords( Keywords& keys ) { ActionWithInputMatrix::registerKeywords( keys ); diff --git a/src/adjmat/TopologyMatrix.cpp b/src/adjmat/TopologyMatrix.cpp index 07abbd501a..eaaa5e3416 100644 --- a/src/adjmat/TopologyMatrix.cpp +++ b/src/adjmat/TopologyMatrix.cpp @@ -75,7 +75,7 @@ class TopologyMatrix : public AdjacencyMatrixBase { HistogramBead& bead, multicolvar::AtomValuePack& myatoms ) const ; }; -PLUMED_REGISTER_ACTION(TopologyMatrix,"TOPOLOGY_MATRIX") +PLUMED_REGISTER_ACTION(TopologyMatrix,TOPOLOGY_MATRIX) void TopologyMatrix::registerKeywords( Keywords& keys ) { AdjacencyMatrixBase::registerKeywords( keys ); diff --git a/src/analysis/Average.cpp b/src/analysis/Average.cpp index 436bb2f6ad..69d9ec50a3 100644 --- a/src/analysis/Average.cpp +++ b/src/analysis/Average.cpp @@ -104,7 +104,7 @@ class Average : public vesselbase::ActionWithAveraging { void accumulateAverage( MultiValue& myvals ) const override; }; -PLUMED_REGISTER_ACTION(Average,"AVERAGE") +PLUMED_REGISTER_ACTION(Average,AVERAGE) void Average::registerKeywords( Keywords& keys ) { vesselbase::ActionWithAveraging::registerKeywords( keys ); keys.use("ARG"); diff --git a/src/analysis/Committor.cpp b/src/analysis/Committor.cpp index 5c65db67d8..e8713601e6 100644 --- a/src/analysis/Committor.cpp +++ b/src/analysis/Committor.cpp @@ -74,7 +74,7 @@ class Committor : void apply() override {} }; -PLUMED_REGISTER_ACTION(Committor,"COMMITTOR") +PLUMED_REGISTER_ACTION(Committor,COMMITTOR) void Committor::registerKeywords( Keywords& keys ) { Action::registerKeywords(keys); diff --git a/src/analysis/EuclideanDissimilarityMatrix.cpp b/src/analysis/EuclideanDissimilarityMatrix.cpp index fff6bf51b5..035769025e 100644 --- a/src/analysis/EuclideanDissimilarityMatrix.cpp +++ b/src/analysis/EuclideanDissimilarityMatrix.cpp @@ -57,7 +57,7 @@ class EuclideanDissimilarityMatrix : public AnalysisBase { void performTask( const unsigned&, const unsigned&, MultiValue& ) const override { plumed_error(); } }; -PLUMED_REGISTER_ACTION(EuclideanDissimilarityMatrix,"EUCLIDEAN_DISSIMILARITIES") +PLUMED_REGISTER_ACTION(PLMD::analysis::EuclideanDissimilarityMatrix,EUCLIDEAN_DISSIMILARITIES) void EuclideanDissimilarityMatrix::registerKeywords( Keywords& keys ) { AnalysisBase::registerKeywords( keys ); keys.use("ARG"); keys.reset_style("ARG","optional"); diff --git a/src/analysis/FarthestPointSampling.cpp b/src/analysis/FarthestPointSampling.cpp index 80bbce30e6..ad50f37205 100644 --- a/src/analysis/FarthestPointSampling.cpp +++ b/src/analysis/FarthestPointSampling.cpp @@ -44,7 +44,7 @@ class FarthestPointSampling : public LandmarkSelectionBase { void selectLandmarks() override; }; -PLUMED_REGISTER_ACTION(FarthestPointSampling,"LANDMARK_SELECT_FPS") +PLUMED_REGISTER_ACTION(FarthestPointSampling,LANDMARK_SELECT_FPS) void FarthestPointSampling::registerKeywords( Keywords& keys ) { LandmarkSelectionBase::registerKeywords(keys); diff --git a/src/analysis/Histogram.cpp b/src/analysis/Histogram.cpp index e13b905bad..b45b5b2b0a 100644 --- a/src/analysis/Histogram.cpp +++ b/src/analysis/Histogram.cpp @@ -220,7 +220,7 @@ class Histogram : public gridtools::ActionWithGrid { void apply() override; }; -PLUMED_REGISTER_ACTION(Histogram,"HISTOGRAM") +PLUMED_REGISTER_ACTION(Histogram,HISTOGRAM) void Histogram::registerKeywords( Keywords& keys ) { gridtools::ActionWithGrid::registerKeywords( keys ); keys.use("ARG"); keys.remove("NORMALIZATION"); diff --git a/src/analysis/LandmarkStaged.cpp b/src/analysis/LandmarkStaged.cpp index 5471c79391..5341effc06 100644 --- a/src/analysis/LandmarkStaged.cpp +++ b/src/analysis/LandmarkStaged.cpp @@ -47,7 +47,7 @@ class LandmarkStaged : public LandmarkSelectionBase { void selectLandmarks() override; }; -PLUMED_REGISTER_ACTION(LandmarkStaged,"LANDMARK_SELECT_STAGED") +PLUMED_REGISTER_ACTION(LandmarkStaged,LANDMARK_SELECT_STAGED) void LandmarkStaged::registerKeywords( Keywords& keys ) { LandmarkSelectionBase::registerKeywords(keys); diff --git a/src/analysis/OutputColvarFile.cpp b/src/analysis/OutputColvarFile.cpp index c5f67ee37a..44e31e9edb 100644 --- a/src/analysis/OutputColvarFile.cpp +++ b/src/analysis/OutputColvarFile.cpp @@ -57,7 +57,7 @@ class OutputColvarFile : public AnalysisBase { void performAnalysis() override; }; -PLUMED_REGISTER_ACTION(OutputColvarFile,"OUTPUT_ANALYSIS_DATA_TO_COLVAR") +PLUMED_REGISTER_ACTION(OutputColvarFile,OUTPUT_ANALYSIS_DATA_TO_COLVAR) void OutputColvarFile::registerKeywords( Keywords& keys ) { AnalysisBase::registerKeywords( keys ); keys.use("ARG"); diff --git a/src/analysis/OutputPDBFile.cpp b/src/analysis/OutputPDBFile.cpp index d1f661958f..d9bbfc2731 100644 --- a/src/analysis/OutputPDBFile.cpp +++ b/src/analysis/OutputPDBFile.cpp @@ -53,7 +53,7 @@ class OutputPDBFile : public AnalysisBase { void performAnalysis() override; }; -PLUMED_REGISTER_ACTION(OutputPDBFile,"OUTPUT_ANALYSIS_DATA_TO_PDB") +PLUMED_REGISTER_ACTION(OutputPDBFile,OUTPUT_ANALYSIS_DATA_TO_PDB) void OutputPDBFile::registerKeywords( Keywords& keys ) { AnalysisBase::registerKeywords( keys ); diff --git a/src/analysis/PrintDissimilarityMatrix.cpp b/src/analysis/PrintDissimilarityMatrix.cpp index c1c3b190c9..be8d14c70b 100644 --- a/src/analysis/PrintDissimilarityMatrix.cpp +++ b/src/analysis/PrintDissimilarityMatrix.cpp @@ -47,7 +47,7 @@ class PrintDissimilarityMatrix : public AnalysisBase { void performTask( const unsigned&, const unsigned&, MultiValue& ) const override { plumed_error(); } }; -PLUMED_REGISTER_ACTION(PrintDissimilarityMatrix,"PRINT_DISSIMILARITY_MATRIX") +PLUMED_REGISTER_ACTION(PrintDissimilarityMatrix,PRINT_DISSIMILARITY_MATRIX) void PrintDissimilarityMatrix::registerKeywords( Keywords& keys ) { AnalysisBase::registerKeywords( keys ); diff --git a/src/analysis/ReadAnalysisFrames.cpp b/src/analysis/ReadAnalysisFrames.cpp index 4739c2df72..fa6a7e70f9 100644 --- a/src/analysis/ReadAnalysisFrames.cpp +++ b/src/analysis/ReadAnalysisFrames.cpp @@ -36,7 +36,7 @@ This allows you to convert a trajectory and a dissimilarity matrix into a dissim namespace PLMD { namespace analysis { -PLUMED_REGISTER_ACTION(ReadAnalysisFrames,"COLLECT_FRAMES") +PLUMED_REGISTER_ACTION(ReadAnalysisFrames,COLLECT_FRAMES) void ReadAnalysisFrames::registerKeywords( Keywords& keys ) { AnalysisBase::registerKeywords( keys ); diff --git a/src/analysis/ReadDissimilarityMatrix.cpp b/src/analysis/ReadDissimilarityMatrix.cpp index 5654feb71b..b0662ad9b9 100644 --- a/src/analysis/ReadDissimilarityMatrix.cpp +++ b/src/analysis/ReadDissimilarityMatrix.cpp @@ -73,7 +73,7 @@ class ReadDissimilarityMatrix : public AnalysisBase { void performTask( const unsigned&, const unsigned&, MultiValue& ) const override { plumed_error(); } }; -PLUMED_REGISTER_ACTION(ReadDissimilarityMatrix,"READ_DISSIMILARITY_MATRIX") +PLUMED_REGISTER_ACTION(ReadDissimilarityMatrix,READ_DISSIMILARITY_MATRIX) void ReadDissimilarityMatrix::registerKeywords( Keywords& keys ) { AnalysisBase::registerKeywords( keys ); diff --git a/src/analysis/ReselectLandmarks.cpp b/src/analysis/ReselectLandmarks.cpp index a52767c7c8..2422b42513 100644 --- a/src/analysis/ReselectLandmarks.cpp +++ b/src/analysis/ReselectLandmarks.cpp @@ -46,7 +46,7 @@ class ReselectLandmarks : public LandmarkSelectionBase { void selectLandmarks() override; }; -PLUMED_REGISTER_ACTION(ReselectLandmarks,"RESELECT_LANDMARKS") +PLUMED_REGISTER_ACTION(ReselectLandmarks,RESELECT_LANDMARKS) void ReselectLandmarks::registerKeywords( Keywords& keys ) { LandmarkSelectionBase::registerKeywords(keys); diff --git a/src/analysis/SelectRandomFrames.cpp b/src/analysis/SelectRandomFrames.cpp index a0ab44c1fe..c2c49ec79b 100644 --- a/src/analysis/SelectRandomFrames.cpp +++ b/src/analysis/SelectRandomFrames.cpp @@ -44,7 +44,7 @@ class SelectRandomFrames : public LandmarkSelectionBase { void selectLandmarks() override; }; -PLUMED_REGISTER_ACTION(SelectRandomFrames,"LANDMARK_SELECT_RANDOM") +PLUMED_REGISTER_ACTION(SelectRandomFrames,LANDMARK_SELECT_RANDOM) void SelectRandomFrames::registerKeywords( Keywords& keys ) { LandmarkSelectionBase::registerKeywords(keys); diff --git a/src/analysis/SelectWithStride.cpp b/src/analysis/SelectWithStride.cpp index 197ca56690..ed7bf0dbb5 100644 --- a/src/analysis/SelectWithStride.cpp +++ b/src/analysis/SelectWithStride.cpp @@ -41,7 +41,7 @@ class SelectWithStride : public LandmarkSelectionBase { void selectLandmarks() override; }; -PLUMED_REGISTER_ACTION(SelectWithStride,"LANDMARK_SELECT_STRIDE") +PLUMED_REGISTER_ACTION(SelectWithStride,LANDMARK_SELECT_STRIDE) void SelectWithStride::registerKeywords( Keywords& keys ) { LandmarkSelectionBase::registerKeywords( keys ); diff --git a/src/analysis/WhamHistogram.cpp b/src/analysis/WhamHistogram.cpp index c62424eed6..8a03cd06fb 100644 --- a/src/analysis/WhamHistogram.cpp +++ b/src/analysis/WhamHistogram.cpp @@ -78,7 +78,7 @@ class WhamHistogram : public ActionShortcut { explicit WhamHistogram( const ActionOptions& ); }; -PLUMED_REGISTER_ACTION(WhamHistogram,"WHAM_HISTOGRAM") +PLUMED_REGISTER_ACTION(WhamHistogram,WHAM_HISTOGRAM) void WhamHistogram::registerKeywords( Keywords& keys ) { ActionShortcut::registerKeywords( keys ); diff --git a/src/analysis/WhamWeights.cpp b/src/analysis/WhamWeights.cpp index 431d0d27fb..45c2508f5a 100644 --- a/src/analysis/WhamWeights.cpp +++ b/src/analysis/WhamWeights.cpp @@ -72,7 +72,7 @@ class WhamWeights : public ActionShortcut { explicit WhamWeights( const ActionOptions& ); }; -PLUMED_REGISTER_ACTION(WhamWeights,"WHAM_WEIGHTS") +PLUMED_REGISTER_ACTION(WhamWeights,WHAM_WEIGHTS) void WhamWeights::registerKeywords( Keywords& keys ) { ActionShortcut::registerKeywords( keys ); keys.remove("LABEL"); diff --git a/src/annfunc/ANN.cpp b/src/annfunc/ANN.cpp index fb192a48fd..cf8b605448 100644 --- a/src/annfunc/ANN.cpp +++ b/src/annfunc/ANN.cpp @@ -107,7 +107,7 @@ class ANN : public Function void back_prop(vector >& derivatives_of_each_layer, int index_of_output_component); }; -PLUMED_REGISTER_ACTION(ANN,"ANN") +PLUMED_REGISTER_ACTION(ANN,ANN) void ANN::registerKeywords( Keywords& keys ) { Function::registerKeywords(keys); diff --git a/src/bias/ABMD.cpp b/src/bias/ABMD.cpp index dd9400ce52..8165ae55f4 100644 --- a/src/bias/ABMD.cpp +++ b/src/bias/ABMD.cpp @@ -92,7 +92,7 @@ class ABMD : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(ABMD,"ABMD") +PLUMED_REGISTER_ACTION(ABMD,ABMD) void ABMD::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/BiasValue.cpp b/src/bias/BiasValue.cpp index 161385f6c5..caeb96d899 100644 --- a/src/bias/BiasValue.cpp +++ b/src/bias/BiasValue.cpp @@ -79,7 +79,7 @@ class BiasValue : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(BiasValue,"BIASVALUE") +PLUMED_REGISTER_ACTION(BiasValue,BIASVALUE) void BiasValue::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/ExtendedLagrangian.cpp b/src/bias/ExtendedLagrangian.cpp index caeffa71a0..2539079455 100644 --- a/src/bias/ExtendedLagrangian.cpp +++ b/src/bias/ExtendedLagrangian.cpp @@ -126,7 +126,7 @@ class ExtendedLagrangian : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(ExtendedLagrangian,"EXTENDED_LAGRANGIAN") +PLUMED_REGISTER_ACTION(ExtendedLagrangian,EXTENDED_LAGRANGIAN) void ExtendedLagrangian::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/External.cpp b/src/bias/External.cpp index 436208c10b..0a6e5a072d 100644 --- a/src/bias/External.cpp +++ b/src/bias/External.cpp @@ -118,7 +118,7 @@ class External : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(External,"EXTERNAL") +PLUMED_REGISTER_ACTION(External,EXTERNAL) void External::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/LWalls.cpp b/src/bias/LWalls.cpp index 5e6834234a..0608ffe51f 100644 --- a/src/bias/LWalls.cpp +++ b/src/bias/LWalls.cpp @@ -73,7 +73,7 @@ class LWalls : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(LWalls,"LOWER_WALLS") +PLUMED_REGISTER_ACTION(LWalls,LOWER_WALLS) void LWalls::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/MaxEnt.cpp b/src/bias/MaxEnt.cpp index cc212876ea..2e307c6240 100644 --- a/src/bias/MaxEnt.cpp +++ b/src/bias/MaxEnt.cpp @@ -160,7 +160,7 @@ class MaxEnt : public Bias { double convert_lambda(const std::string &type,double lold); void check_lambda_boundaries(const std::string &err_type,double &l); }; -PLUMED_REGISTER_ACTION(MaxEnt,"MAXENT") +PLUMED_REGISTER_ACTION(MaxEnt,MAXENT) void MaxEnt::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/MetaD.cpp b/src/bias/MetaD.cpp index 5bee48ac35..a80fa5a66b 100644 --- a/src/bias/MetaD.cpp +++ b/src/bias/MetaD.cpp @@ -519,7 +519,7 @@ class MetaD : public Bias { bool checkNeedsGradients()const override; }; -PLUMED_REGISTER_ACTION(MetaD,"METAD") +PLUMED_REGISTER_ACTION(MetaD,METAD) void MetaD::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/MovingRestraint.cpp b/src/bias/MovingRestraint.cpp index 5065d2476c..5322b2310e 100644 --- a/src/bias/MovingRestraint.cpp +++ b/src/bias/MovingRestraint.cpp @@ -114,7 +114,7 @@ class MovingRestraint : public Bias { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(MovingRestraint,"MOVINGRESTRAINT") +PLUMED_REGISTER_ACTION(MovingRestraint,MOVINGRESTRAINT) void MovingRestraint::registerKeywords( Keywords& keys ) { Bias::registerKeywords(keys); diff --git a/src/bias/PBMetaD.cpp b/src/bias/PBMetaD.cpp index cafe7533e1..6cae83fc3a 100644 --- a/src/bias/PBMetaD.cpp +++ b/src/bias/PBMetaD.cpp @@ -329,7 +329,7 @@ class PBMetaD : public Bias { bool checkNeedsGradients()const override; }; -PLUMED_REGISTER_ACTION(PBMetaD,"PBMETAD") +PLUMED_REGISTER_ACTION(PBMetaD,PBMETAD) void PBMetaD::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/Restraint.cpp b/src/bias/Restraint.cpp index 4644fa2eae..13f3ee91a3 100644 --- a/src/bias/Restraint.cpp +++ b/src/bias/Restraint.cpp @@ -67,7 +67,7 @@ class Restraint : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(Restraint,"RESTRAINT") +PLUMED_REGISTER_ACTION(Restraint,RESTRAINT) void Restraint::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/ReweightBias.cpp b/src/bias/ReweightBias.cpp index 6059c998ea..fc9f55bbc7 100644 --- a/src/bias/ReweightBias.cpp +++ b/src/bias/ReweightBias.cpp @@ -75,7 +75,7 @@ class ReweightBias : public ReweightBase { double getLogWeight() override; }; -PLUMED_REGISTER_ACTION(ReweightBias,"REWEIGHT_BIAS") +PLUMED_REGISTER_ACTION(ReweightBias,REWEIGHT_BIAS) void ReweightBias::registerKeywords(Keywords& keys ) { ReweightBase::registerKeywords( keys ); keys.remove("ARG"); diff --git a/src/bias/ReweightMetad.cpp b/src/bias/ReweightMetad.cpp index f224680d8b..d9dc69a461 100644 --- a/src/bias/ReweightMetad.cpp +++ b/src/bias/ReweightMetad.cpp @@ -72,7 +72,7 @@ class ReweightMetad : public ReweightBase { double getLogWeight() override; }; -PLUMED_REGISTER_ACTION(ReweightMetad,"REWEIGHT_METAD") +PLUMED_REGISTER_ACTION(ReweightMetad,REWEIGHT_METAD) void ReweightMetad::registerKeywords(Keywords& keys ) { ReweightBase::registerKeywords( keys ); keys.remove("ARG"); diff --git a/src/bias/ReweightTemperaturePressure.cpp b/src/bias/ReweightTemperaturePressure.cpp index 3edbdbcf19..53f1f6ccf0 100644 --- a/src/bias/ReweightTemperaturePressure.cpp +++ b/src/bias/ReweightTemperaturePressure.cpp @@ -187,7 +187,7 @@ class ReweightTemperaturePressure : public ReweightBase { double getLogWeight() override; }; -PLUMED_REGISTER_ACTION(ReweightTemperaturePressure,"REWEIGHT_TEMP_PRESS") +PLUMED_REGISTER_ACTION(ReweightTemperaturePressure,REWEIGHT_TEMP_PRESS) void ReweightTemperaturePressure::registerKeywords(Keywords& keys ) { ReweightBase::registerKeywords( keys ); diff --git a/src/bias/ReweightWham.cpp b/src/bias/ReweightWham.cpp index b6628aa57d..984ddeba1f 100644 --- a/src/bias/ReweightWham.cpp +++ b/src/bias/ReweightWham.cpp @@ -93,7 +93,7 @@ class ReweightWham : public ReweightBase { double getWeight( const unsigned& iweight ) const override; }; -PLUMED_REGISTER_ACTION(ReweightWham,"REWEIGHT_WHAM") +PLUMED_REGISTER_ACTION(ReweightWham,REWEIGHT_WHAM) void ReweightWham::registerKeywords(Keywords& keys ) { ReweightBase::registerKeywords( keys ); keys.remove("ARG"); diff --git a/src/bias/UWalls.cpp b/src/bias/UWalls.cpp index 0abc063f9e..00af1b20d9 100644 --- a/src/bias/UWalls.cpp +++ b/src/bias/UWalls.cpp @@ -72,7 +72,7 @@ class UWalls : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(UWalls,"UPPER_WALLS") +PLUMED_REGISTER_ACTION(UWalls,UPPER_WALLS) void UWalls::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/colvar/Angle.cpp b/src/colvar/Angle.cpp index 97ff219730..fa3b411e27 100644 --- a/src/colvar/Angle.cpp +++ b/src/colvar/Angle.cpp @@ -88,7 +88,7 @@ class Angle : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Angle,"ANGLE") +PLUMED_REGISTER_ACTION(Angle,ANGLE) void Angle::registerKeywords( Keywords& keys ) { Colvar::registerKeywords(keys); diff --git a/src/colvar/Cell.cpp b/src/colvar/Cell.cpp index c6c447ac7e..601708f9b1 100644 --- a/src/colvar/Cell.cpp +++ b/src/colvar/Cell.cpp @@ -55,7 +55,7 @@ class Cell : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Cell,"CELL") +PLUMED_REGISTER_ACTION(Cell,CELL) Cell::Cell(const ActionOptions&ao): PLUMED_COLVAR_INIT(ao) diff --git a/src/colvar/Constant.cpp b/src/colvar/Constant.cpp index ea8de35ac3..5164145b5f 100644 --- a/src/colvar/Constant.cpp +++ b/src/colvar/Constant.cpp @@ -66,7 +66,7 @@ class Constant : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Constant,"CONSTANT") +PLUMED_REGISTER_ACTION(Constant,CONSTANT) Constant::Constant(const ActionOptions&ao): PLUMED_COLVAR_INIT(ao) diff --git a/src/colvar/ContactMap.cpp b/src/colvar/ContactMap.cpp index c82075f88f..b2dc668eb2 100644 --- a/src/colvar/ContactMap.cpp +++ b/src/colvar/ContactMap.cpp @@ -115,7 +115,7 @@ class ContactMap : public Colvar { void checkFieldsAllowed() override {} }; -PLUMED_REGISTER_ACTION(ContactMap,"CONTACTMAP") +PLUMED_REGISTER_ACTION(ContactMap,CONTACTMAP) void ContactMap::registerKeywords( Keywords& keys ) { Colvar::registerKeywords( keys ); diff --git a/src/colvar/Coordination.cpp b/src/colvar/Coordination.cpp index 146f799292..a183050a50 100644 --- a/src/colvar/Coordination.cpp +++ b/src/colvar/Coordination.cpp @@ -102,7 +102,7 @@ class Coordination : public CoordinationBase { double pairing(double distance,double&dfunc,unsigned i,unsigned j)const override; }; -PLUMED_REGISTER_ACTION(Coordination,"COORDINATION") +PLUMED_REGISTER_ACTION(Coordination,COORDINATION) void Coordination::registerKeywords( Keywords& keys ) { CoordinationBase::registerKeywords(keys); diff --git a/src/colvar/DHEnergy.cpp b/src/colvar/DHEnergy.cpp index fe67cea498..8e52138bcb 100644 --- a/src/colvar/DHEnergy.cpp +++ b/src/colvar/DHEnergy.cpp @@ -72,7 +72,7 @@ class DHEnergy : public CoordinationBase { double pairing(double distance,double&dfunc,unsigned i,unsigned j)const override; }; -PLUMED_REGISTER_ACTION(DHEnergy,"DHENERGY") +PLUMED_REGISTER_ACTION(DHEnergy,DHENERGY) void DHEnergy::registerKeywords( Keywords& keys ) { CoordinationBase::registerKeywords(keys); diff --git a/src/colvar/DRMSD.cpp b/src/colvar/DRMSD.cpp index b869fea912..882c54b733 100644 --- a/src/colvar/DRMSD.cpp +++ b/src/colvar/DRMSD.cpp @@ -119,7 +119,7 @@ class DRMSD : public Colvar { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(DRMSD,"DRMSD") +PLUMED_REGISTER_ACTION(DRMSD,DRMSD) void DRMSD::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/Dimer.cpp b/src/colvar/Dimer.cpp index 36818daafb..98a72fbacd 100644 --- a/src/colvar/Dimer.cpp +++ b/src/colvar/Dimer.cpp @@ -140,7 +140,7 @@ class Dimer : public Colvar { }; -PLUMED_REGISTER_ACTION(Dimer, "DIMER") +PLUMED_REGISTER_ACTION(Dimer, DIMER) diff --git a/src/colvar/Dipole.cpp b/src/colvar/Dipole.cpp index 5e985e3c5b..38ac0644c4 100644 --- a/src/colvar/Dipole.cpp +++ b/src/colvar/Dipole.cpp @@ -68,7 +68,7 @@ class Dipole : public Colvar { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(Dipole,"DIPOLE") +PLUMED_REGISTER_ACTION(Dipole,DIPOLE) void Dipole::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/Distance.cpp b/src/colvar/Distance.cpp index bf901435f9..356b80190a 100644 --- a/src/colvar/Distance.cpp +++ b/src/colvar/Distance.cpp @@ -115,7 +115,7 @@ class Distance : public Colvar { void calculate() override; }; -PLUMED_REGISTER_ACTION(Distance,"DISTANCE") +PLUMED_REGISTER_ACTION(Distance,DISTANCE) void Distance::registerKeywords( Keywords& keys ) { Colvar::registerKeywords( keys ); diff --git a/src/colvar/EEFSolv.cpp b/src/colvar/EEFSolv.cpp index 7cf1a1e07e..be54cf3813 100644 --- a/src/colvar/EEFSolv.cpp +++ b/src/colvar/EEFSolv.cpp @@ -99,7 +99,7 @@ class EEFSolv : public Colvar { void calculate() override; }; -PLUMED_REGISTER_ACTION(EEFSolv,"EEFSOLV") +PLUMED_REGISTER_ACTION(EEFSolv,EEFSOLV) void EEFSolv::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/ERMSD.cpp b/src/colvar/ERMSD.cpp index 5ce858b23c..11f485d9db 100644 --- a/src/colvar/ERMSD.cpp +++ b/src/colvar/ERMSD.cpp @@ -113,7 +113,7 @@ class ERMSD : public Colvar { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(ERMSD,"ERMSD") +PLUMED_REGISTER_ACTION(ERMSD,ERMSD) void ERMSD::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/Energy.cpp b/src/colvar/Energy.cpp index e3f6a49132..bce568442b 100644 --- a/src/colvar/Energy.cpp +++ b/src/colvar/Energy.cpp @@ -72,7 +72,7 @@ class Energy : public Colvar { }; -PLUMED_REGISTER_ACTION(Energy,"ENERGY") +PLUMED_REGISTER_ACTION(Energy,ENERGY) Energy::Energy(const ActionOptions&ao): PLUMED_COLVAR_INIT(ao) diff --git a/src/colvar/ExtraCV.cpp b/src/colvar/ExtraCV.cpp index 4313772722..4591030cfb 100644 --- a/src/colvar/ExtraCV.cpp +++ b/src/colvar/ExtraCV.cpp @@ -61,7 +61,7 @@ class ExtraCV : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(ExtraCV,"EXTRACV") +PLUMED_REGISTER_ACTION(ExtraCV,EXTRACV) ExtraCV::ExtraCV(const ActionOptions&ao): PLUMED_COLVAR_INIT(ao) diff --git a/src/colvar/Fake.cpp b/src/colvar/Fake.cpp index df42695fb7..1ed120f818 100644 --- a/src/colvar/Fake.cpp +++ b/src/colvar/Fake.cpp @@ -47,7 +47,7 @@ class ColvarFake : public Colvar { void calculate() override; }; -PLUMED_REGISTER_ACTION(ColvarFake,"FAKE") +PLUMED_REGISTER_ACTION(ColvarFake,FAKE) void ColvarFake::registerKeywords( Keywords& keys ) { Colvar::registerKeywords( keys ); diff --git a/src/colvar/GHBFIX.cpp b/src/colvar/GHBFIX.cpp index a8fea5304f..8a037c36a1 100644 --- a/src/colvar/GHBFIX.cpp +++ b/src/colvar/GHBFIX.cpp @@ -82,7 +82,7 @@ class GHBFIX : public CoordinationBase { double pairing(double distance,double&dfunc,unsigned i,unsigned j)const override; }; -PLUMED_REGISTER_ACTION(GHBFIX,"GHBFIX") +PLUMED_REGISTER_ACTION(GHBFIX,GHBFIX) void GHBFIX::registerKeywords( Keywords& keys ) { CoordinationBase::registerKeywords(keys); diff --git a/src/colvar/Gyration.cpp b/src/colvar/Gyration.cpp index a18aa1a90f..3d612bd15f 100644 --- a/src/colvar/Gyration.cpp +++ b/src/colvar/Gyration.cpp @@ -89,7 +89,7 @@ class Gyration : public Colvar { void calculate() override; }; -PLUMED_REGISTER_ACTION(Gyration,"GYRATION") +PLUMED_REGISTER_ACTION(Gyration,GYRATION) void Gyration::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/MultiRMSD.cpp b/src/colvar/MultiRMSD.cpp index 24e94eb5e6..7df596b69e 100644 --- a/src/colvar/MultiRMSD.cpp +++ b/src/colvar/MultiRMSD.cpp @@ -140,7 +140,7 @@ END */ //+ENDPLUMEDOC -PLUMED_REGISTER_ACTION(MultiRMSD,"MULTI_RMSD") +PLUMED_REGISTER_ACTION(MultiRMSD,MULTI_RMSD) void MultiRMSD::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/PCARMSD.cpp b/src/colvar/PCARMSD.cpp index d350966fc1..0ad6996acc 100644 --- a/src/colvar/PCARMSD.cpp +++ b/src/colvar/PCARMSD.cpp @@ -100,7 +100,7 @@ ENDMDL */ //+ENDPLUMEDOC -PLUMED_REGISTER_ACTION(PCARMSD,"PCARMSD") +PLUMED_REGISTER_ACTION(PCARMSD,PCARMSD) void PCARMSD::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/PathMSD.cpp b/src/colvar/PathMSD.cpp index 80c4b148d4..c3381f4a0c 100644 --- a/src/colvar/PathMSD.cpp +++ b/src/colvar/PathMSD.cpp @@ -95,7 +95,7 @@ class PathMSD : public PathMSDBase { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(PathMSD,"PATHMSD") +PLUMED_REGISTER_ACTION(PathMSD,PATHMSD) void PathMSD::registerKeywords(Keywords& keys) { PathMSDBase::registerKeywords(keys); diff --git a/src/colvar/Position.cpp b/src/colvar/Position.cpp index 9739f704c1..2280dc8a19 100644 --- a/src/colvar/Position.cpp +++ b/src/colvar/Position.cpp @@ -81,7 +81,7 @@ class Position : public Colvar { void calculate() override; }; -PLUMED_REGISTER_ACTION(Position,"POSITION") +PLUMED_REGISTER_ACTION(Position,POSITION) void Position::registerKeywords( Keywords& keys ) { Colvar::registerKeywords( keys ); diff --git a/src/colvar/ProjectionOnAxis.cpp b/src/colvar/ProjectionOnAxis.cpp index 705d18c8a8..f7b672f5dc 100644 --- a/src/colvar/ProjectionOnAxis.cpp +++ b/src/colvar/ProjectionOnAxis.cpp @@ -76,7 +76,7 @@ class ProjectionOnAxis : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(ProjectionOnAxis,"PROJECTION_ON_AXIS") +PLUMED_REGISTER_ACTION(ProjectionOnAxis,PROJECTION_ON_AXIS) void ProjectionOnAxis::registerKeywords( Keywords& keys ) { Colvar::registerKeywords(keys); diff --git a/src/colvar/PropertyMap.cpp b/src/colvar/PropertyMap.cpp index 2c6bde5d7b..4584549d2f 100644 --- a/src/colvar/PropertyMap.cpp +++ b/src/colvar/PropertyMap.cpp @@ -94,7 +94,7 @@ class PropertyMap : public PathMSDBase { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(PropertyMap,"PROPERTYMAP") +PLUMED_REGISTER_ACTION(PropertyMap,PROPERTYMAP) void PropertyMap::registerKeywords(Keywords& keys) { PathMSDBase::registerKeywords(keys); diff --git a/src/colvar/Puckering.cpp b/src/colvar/Puckering.cpp index 58ee4cf955..9c52fecdc0 100644 --- a/src/colvar/Puckering.cpp +++ b/src/colvar/Puckering.cpp @@ -78,7 +78,7 @@ class Puckering : public Colvar { void calculate6m(); }; -PLUMED_REGISTER_ACTION(Puckering,"PUCKERING") +PLUMED_REGISTER_ACTION(Puckering,PUCKERING) void Puckering::registerKeywords(Keywords& keys) { Colvar::registerKeywords( keys ); diff --git a/src/colvar/RMSD.cpp b/src/colvar/RMSD.cpp index 5aa710a5d4..5496f40f16 100644 --- a/src/colvar/RMSD.cpp +++ b/src/colvar/RMSD.cpp @@ -159,7 +159,7 @@ END */ //+ENDPLUMEDOC -PLUMED_REGISTER_ACTION(RMSD,"RMSD") +PLUMED_REGISTER_ACTION(RMSD,RMSD) void RMSD::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/Template.cpp b/src/colvar/Template.cpp index 67210fbcf6..b0cd4b5e80 100644 --- a/src/colvar/Template.cpp +++ b/src/colvar/Template.cpp @@ -56,7 +56,7 @@ class Template : public Colvar { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(Template,"TEMPLATE") +PLUMED_REGISTER_ACTION(Template,TEMPLATE) void Template::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/Torsion.cpp b/src/colvar/Torsion.cpp index 955c5eb5ae..c1fa5c6dfc 100644 --- a/src/colvar/Torsion.cpp +++ b/src/colvar/Torsion.cpp @@ -97,7 +97,7 @@ class Torsion : public Colvar { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(Torsion,"TORSION") +PLUMED_REGISTER_ACTION(Torsion,TORSION) void Torsion::registerKeywords(Keywords& keys) { Colvar::registerKeywords( keys ); diff --git a/src/colvar/Volume.cpp b/src/colvar/Volume.cpp index 9da5e497ac..3b905c9d02 100644 --- a/src/colvar/Volume.cpp +++ b/src/colvar/Volume.cpp @@ -51,7 +51,7 @@ class Volume : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Volume,"VOLUME") +PLUMED_REGISTER_ACTION(Volume,VOLUME) Volume::Volume(const ActionOptions&ao): PLUMED_COLVAR_INIT(ao) diff --git a/src/config/asd b/src/config/asd new file mode 100644 index 0000000000..5a4143719b --- /dev/null +++ b/src/config/asd @@ -0,0 +1,9 @@ +#ifndef __PLUMED_config_version_h +#define __PLUMED_config_version_h +#define PLUMED_VERSION_SHORT "2.10" +#define PLUMED_VERSION_LONG "2.10.0-dev" +#define PLUMED_VERSION_GIT "23e754fd4-dirty" +#define PLUMED_VERSION_MAJOR 2 +#define PLUMED_VERSION_MINOR 10 +#define PLUMED_VERSION_PATCH 0 +#endif diff --git a/src/core/ActionRegister.h b/src/core/ActionRegister.h index f9d9ede40e..16e2e687ec 100644 --- a/src/core/ActionRegister.h +++ b/src/core/ActionRegister.h @@ -27,6 +27,7 @@ #include #include #include "tools/Keywords.h" +#include "tools/Tools.h" #include namespace PLMD { @@ -62,6 +63,14 @@ class ActionRegister { /// \param cp A pointer to a function which creates an object of that class /// \param kp A pointer to a function which returns the allowed keywords void add(std::string key,creator_pointer cp,keywords_pointer kp); + template + void add(const std::string& key){ + this->add(key, + [](const PLMD::ActionOptions&ao)->std::unique_ptr { + return PLMD::Tools::make_unique(ao); + }, + PLMDActionType::registerKeywords); + } /// Verify if a directive is present in the register bool check(const std::string & action); /// Create an Action of the type indicated in the options @@ -100,6 +109,7 @@ std::ostream & operator<<(std::ostream &log,const ActionRegister&ar); /// \param classname the name of the class to be registered /// \param directive a string containing the corresponding directive /// This macro should be used in the .cpp file of the corresponding class +/** #define PLUMED_REGISTER_ACTION(classname,directive) \ namespace { class PLUMED_UNIQUENAME(classname##RegisterMe){ \ static std::unique_ptr create(const PLMD::ActionOptions&ao){return PLMD::Tools::make_unique(ao);} \ @@ -107,7 +117,45 @@ std::ostream & operator<<(std::ostream &log,const ActionRegister&ar); PLUMED_UNIQUENAME(classname##RegisterMe)(){PLMD::actionRegister().add(directive,create,classname::registerKeywords);} \ ~PLUMED_UNIQUENAME(classname##RegisterMe)(){PLMD::actionRegister().remove(create);} \ } PLUMED_UNIQUENAME(classname##RegisterMe); } +* / +namespace PLMD{ +//namespace actionSetup{ +template +void myregisterAction(const std::string& key){ + PLMD::actionRegister().add(key, + [](const PLMD::ActionOptions&ao)->std::unique_ptr { + return PLMD::Tools::make_unique(ao); + }, + ActionType::registerKeywords); +} +//} +}*/ +/* +#define PLUMED_REGISTER_ACTION(classname,directive) \ + template<>\ + ::PLMD::PLMD::actionRegister()(directive); +*/ +//in C++20 you we'll make this a concept a change typename in plumedRegisterer +template +inline constexpr bool isActionType = std::is_base_of<::PLMD::Action, T>::value; +//concept ActionType = std::is_base_of<::PLMD::Action, T>::value; +//and the next template will be template + +template +class plumedRegisterer{ + static ::std::unique_ptr<::PLMD::Action> create(const ::PLMD::ActionOptions&ao){ + return ::PLMD::Tools::make_unique(ao); + } + public: + plumedRegisterer(std::string directive){ + static_assert(isActionType,"plumedRegisterer accepts only class that inherit from Action"); + ::PLMD::actionRegister().add(directive,create,ActionClass::registerKeywords); + } + ~plumedRegisterer(){::PLMD::actionRegister().remove(create);} +}; +#define PLUMED_REGISTER_ACTION(classname,directive) plumedRegisterer directive##Registerer(#directive); + #endif diff --git a/src/crystallization/BondOrientation.cpp b/src/crystallization/BondOrientation.cpp index 9dc9d7b91a..4e61a89aeb 100644 --- a/src/crystallization/BondOrientation.cpp +++ b/src/crystallization/BondOrientation.cpp @@ -47,7 +47,7 @@ class BondOrientation : public VectorMultiColvar { void calculateVector( multicolvar::AtomValuePack& myatoms ) const override; }; -PLUMED_REGISTER_ACTION(BondOrientation,"BOND_DIRECTIONS") +PLUMED_REGISTER_ACTION(BondOrientation,BOND_DIRECTIONS) void BondOrientation::registerKeywords( Keywords& keys ) { VectorMultiColvar::registerKeywords( keys ); diff --git a/src/crystallization/EnvironmentSimilarity.cpp b/src/crystallization/EnvironmentSimilarity.cpp index 1c7798f155..4399bbdb92 100644 --- a/src/crystallization/EnvironmentSimilarity.cpp +++ b/src/crystallization/EnvironmentSimilarity.cpp @@ -214,7 +214,7 @@ class EnvironmentSimilarity : public multicolvar::MultiColvarBase { void parseReferenceEnvironments( std::vector>& environments, std::vector>& environmentsAtomNames, double& max_dist); }; -PLUMED_REGISTER_ACTION(EnvironmentSimilarity,"ENVIRONMENTSIMILARITY") +PLUMED_REGISTER_ACTION(EnvironmentSimilarity,ENVIRONMENTSIMILARITY) void EnvironmentSimilarity::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/crystallization/Fccubic.cpp b/src/crystallization/Fccubic.cpp index 8763087087..c5e148f75d 100644 --- a/src/crystallization/Fccubic.cpp +++ b/src/crystallization/Fccubic.cpp @@ -81,7 +81,7 @@ class Fccubic : public CubicHarmonicBase { double calculateCubicHarmonic( const Vector& distance, const double& d2, Vector& myder ) const override; }; -PLUMED_REGISTER_ACTION(Fccubic,"FCCUBIC") +PLUMED_REGISTER_ACTION(Fccubic,FCCUBIC) void Fccubic::registerKeywords( Keywords& keys ) { CubicHarmonicBase::registerKeywords( keys ); diff --git a/src/crystallization/Gradient.cpp b/src/crystallization/Gradient.cpp index 22ff2c7739..19be115bad 100644 --- a/src/crystallization/Gradient.cpp +++ b/src/crystallization/Gradient.cpp @@ -59,7 +59,7 @@ PRINT ARG=s2 FILE=colvar */ //+ENDPLUMEDOC -PLUMED_REGISTER_ACTION(Gradient,"GRADIENT") +PLUMED_REGISTER_ACTION(Gradient,GRADIENT) void Gradient::registerKeywords( Keywords& keys ) { VolumeGradientBase::registerKeywords( keys ); diff --git a/src/crystallization/InterMolecularTorsions.cpp b/src/crystallization/InterMolecularTorsions.cpp index d8be698945..26bdda6c07 100644 --- a/src/crystallization/InterMolecularTorsions.cpp +++ b/src/crystallization/InterMolecularTorsions.cpp @@ -93,7 +93,7 @@ class InterMolecularTorsions : public multicolvar::MultiColvarBase { void retrieveDomain( std::string& min, std::string& max ) { min="-pi"; max="+pi"; } }; -PLUMED_REGISTER_ACTION(InterMolecularTorsions,"INTERMOLECULARTORSIONS") +PLUMED_REGISTER_ACTION(InterMolecularTorsions,INTERMOLECULARTORSIONS) void InterMolecularTorsions::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/crystallization/MoleculeOrientation.cpp b/src/crystallization/MoleculeOrientation.cpp index 4860a4bec9..18f9c8aafc 100644 --- a/src/crystallization/MoleculeOrientation.cpp +++ b/src/crystallization/MoleculeOrientation.cpp @@ -61,7 +61,7 @@ class MoleculeOrientation : public VectorMultiColvar { void normalizeVectorDerivatives( MultiValue& myvals ) const override; }; -PLUMED_REGISTER_ACTION(MoleculeOrientation,"MOLECULES") +PLUMED_REGISTER_ACTION(MoleculeOrientation,MOLECULES) void MoleculeOrientation::registerKeywords( Keywords& keys ) { VectorMultiColvar::registerKeywords( keys ); keys.use("MEAN"); keys.use("VMEAN"); diff --git a/src/crystallization/MoleculePlane.cpp b/src/crystallization/MoleculePlane.cpp index bf50e5846c..0bb9ec59b7 100644 --- a/src/crystallization/MoleculePlane.cpp +++ b/src/crystallization/MoleculePlane.cpp @@ -45,7 +45,7 @@ class MoleculePlane : public VectorMultiColvar { void calculateVector( multicolvar::AtomValuePack& myatoms ) const override; }; -PLUMED_REGISTER_ACTION(MoleculePlane,"PLANES") +PLUMED_REGISTER_ACTION(MoleculePlane,PLANES) void MoleculePlane::registerKeywords( Keywords& keys ) { VectorMultiColvar::registerKeywords( keys ); keys.use("VMEAN"); diff --git a/src/crystallization/PolymerAngles.cpp b/src/crystallization/PolymerAngles.cpp index b11e90309b..de6d2db532 100644 --- a/src/crystallization/PolymerAngles.cpp +++ b/src/crystallization/PolymerAngles.cpp @@ -73,7 +73,7 @@ class PolymerAngles : public OrientationSphere { Vector& dconn, std::vector& dvec1, std::vector& dvec2 ) const override; }; -PLUMED_REGISTER_ACTION(PolymerAngles,"POLYMER_ANGLES") +PLUMED_REGISTER_ACTION(PolymerAngles,POLYMER_ANGLES) void PolymerAngles::registerKeywords( Keywords& keys ) { OrientationSphere::registerKeywords(keys); diff --git a/src/crystallization/Q3.cpp b/src/crystallization/Q3.cpp index abe32aeaa1..3a6e4ec2e2 100644 --- a/src/crystallization/Q3.cpp +++ b/src/crystallization/Q3.cpp @@ -184,9 +184,9 @@ class Q3 : public Steinhardt { explicit Q3( const ActionOptions& ao ); }; -PLUMED_REGISTER_ACTION(Q3,"Q3") +PLUMED_REGISTER_ACTION(Q3,Q3) typedef LocalSteinhardt LOCAL_Q3; -PLUMED_REGISTER_ACTION(LOCAL_Q3,"LOCAL_Q3") +PLUMED_REGISTER_ACTION(LOCAL_Q3,LOCAL_Q3) void Q3::registerKeywords( Keywords& keys ) { Steinhardt::registerKeywords( keys ); diff --git a/src/crystallization/Q4.cpp b/src/crystallization/Q4.cpp index 2906511fd2..cf4e3ae802 100644 --- a/src/crystallization/Q4.cpp +++ b/src/crystallization/Q4.cpp @@ -183,9 +183,9 @@ class Q4 : public Steinhardt { explicit Q4( const ActionOptions& ao ); }; -PLUMED_REGISTER_ACTION(Q4,"Q4") +PLUMED_REGISTER_ACTION(Q4,Q4) typedef LocalSteinhardt LOCAL_Q4; -PLUMED_REGISTER_ACTION(LOCAL_Q4,"LOCAL_Q4") +PLUMED_REGISTER_ACTION(LOCAL_Q4,LOCAL_Q4) void Q4::registerKeywords( Keywords& keys ) { Steinhardt::registerKeywords( keys ); diff --git a/src/crystallization/Q6.cpp b/src/crystallization/Q6.cpp index ca16d93e1f..fbc24b32aa 100644 --- a/src/crystallization/Q6.cpp +++ b/src/crystallization/Q6.cpp @@ -183,9 +183,9 @@ class Q6 : public Steinhardt { explicit Q6( const ActionOptions& ao ); }; -PLUMED_REGISTER_ACTION(Q6,"Q6") +PLUMED_REGISTER_ACTION(Q6,Q6) typedef LocalSteinhardt LOCAL_Q6; -PLUMED_REGISTER_ACTION(LOCAL_Q6,"LOCAL_Q6") +PLUMED_REGISTER_ACTION(LOCAL_Q6,LOCAL_Q6) void Q6::registerKeywords( Keywords& keys ) { Steinhardt::registerKeywords( keys ); diff --git a/src/crystallization/SMAC.cpp b/src/crystallization/SMAC.cpp index 585bb8e16d..a38e7f3ad3 100644 --- a/src/crystallization/SMAC.cpp +++ b/src/crystallization/SMAC.cpp @@ -136,7 +136,7 @@ class SMAC : public OrientationSphere { double calculateCoordinationPrefactor( const double& coord, double& df ) const override; }; -PLUMED_REGISTER_ACTION(SMAC,"SMAC") +PLUMED_REGISTER_ACTION(SMAC,SMAC) void SMAC::registerKeywords( Keywords& keys ) { OrientationSphere::registerKeywords(keys); diff --git a/src/crystallization/SimpleCubic.cpp b/src/crystallization/SimpleCubic.cpp index 82a60f46ea..9e7ed255b3 100644 --- a/src/crystallization/SimpleCubic.cpp +++ b/src/crystallization/SimpleCubic.cpp @@ -75,7 +75,7 @@ class SimpleCubic : public CubicHarmonicBase { double calculateCubicHarmonic( const Vector& distance, const double& d2, Vector& myder ) const override; }; -PLUMED_REGISTER_ACTION(SimpleCubic,"SIMPLECUBIC") +PLUMED_REGISTER_ACTION(SimpleCubic,SIMPLECUBIC) void SimpleCubic::registerKeywords( Keywords& keys ) { CubicHarmonicBase::registerKeywords( keys ); diff --git a/src/crystallization/Tetrahedral.cpp b/src/crystallization/Tetrahedral.cpp index feae93bfd6..3a05ad9352 100644 --- a/src/crystallization/Tetrahedral.cpp +++ b/src/crystallization/Tetrahedral.cpp @@ -80,7 +80,7 @@ class Tetrahedral : public CubicHarmonicBase { double calculateCubicHarmonic( const Vector& distance, const double& d2, Vector& myder ) const override; }; -PLUMED_REGISTER_ACTION(Tetrahedral,"TETRAHEDRAL") +PLUMED_REGISTER_ACTION(Tetrahedral,TETRAHEDRAL) void Tetrahedral::registerKeywords( Keywords& keys ) { CubicHarmonicBase::registerKeywords( keys ); diff --git a/src/dimred/ClassicalMultiDimensionalScaling.cpp b/src/dimred/ClassicalMultiDimensionalScaling.cpp index 0135ae811e..d00793cd11 100644 --- a/src/dimred/ClassicalMultiDimensionalScaling.cpp +++ b/src/dimred/ClassicalMultiDimensionalScaling.cpp @@ -166,7 +166,7 @@ class ClassicalMultiDimensionalScaling : public DimensionalityReductionBase { void calculateProjections( const Matrix&, Matrix& ) override; }; -PLUMED_REGISTER_ACTION(ClassicalMultiDimensionalScaling,"CLASSICAL_MDS") +PLUMED_REGISTER_ACTION(ClassicalMultiDimensionalScaling,CLASSICAL_MDS) void ClassicalMultiDimensionalScaling::registerKeywords( Keywords& keys ) { DimensionalityReductionBase::registerKeywords( keys ); diff --git a/src/dimred/OutputPCAProjections.cpp b/src/dimred/OutputPCAProjections.cpp index 7b8caf60b7..eb65593a2f 100644 --- a/src/dimred/OutputPCAProjections.cpp +++ b/src/dimred/OutputPCAProjections.cpp @@ -55,7 +55,7 @@ class OutputPCAProjection : public analysis::AnalysisBase { void performAnalysis(); }; -PLUMED_REGISTER_ACTION(OutputPCAProjection,"OUTPUT_PCA_PROJECTION") +PLUMED_REGISTER_ACTION(OutputPCAProjection,OUTPUT_PCA_PROJECTION) void OutputPCAProjection::registerKeywords( Keywords& keys ) { analysis::AnalysisBase::registerKeywords( keys ); diff --git a/src/dimred/PCA.cpp b/src/dimred/PCA.cpp index d7bcf24191..5c16ae8d00 100644 --- a/src/dimred/PCA.cpp +++ b/src/dimred/PCA.cpp @@ -97,7 +97,7 @@ OUTPUT_PCA_PROJECTION USE_OUTPUT_DATA_FROM=pca STRIDE=100 FILE=PCA-comp.pdb namespace PLMD { namespace dimred { -PLUMED_REGISTER_ACTION(PCA,"PCA") +PLUMED_REGISTER_ACTION(PCA,PCA) void PCA::registerKeywords( Keywords& keys ) { DimensionalityReductionBase::registerKeywords( keys ); keys.use("ARG"); keys.reset_style("ARG","optional"); diff --git a/src/dimred/ProjectNonLandmarkPoints.cpp b/src/dimred/ProjectNonLandmarkPoints.cpp index 4c71fa42a3..8525f84950 100644 --- a/src/dimred/ProjectNonLandmarkPoints.cpp +++ b/src/dimred/ProjectNonLandmarkPoints.cpp @@ -66,7 +66,7 @@ class ProjectNonLandmarkPoints : public analysis::AnalysisBase { void performTask( const unsigned&, const unsigned&, MultiValue& ) const { plumed_error(); } }; -PLUMED_REGISTER_ACTION(ProjectNonLandmarkPoints,"PROJECT_ALL_ANALYSIS_DATA") +PLUMED_REGISTER_ACTION(ProjectNonLandmarkPoints,PROJECT_ALL_ANALYSIS_DATA) void ProjectNonLandmarkPoints::registerKeywords( Keywords& keys ) { analysis::AnalysisBase::registerKeywords( keys ); diff --git a/src/dimred/SketchMap.cpp b/src/dimred/SketchMap.cpp index cd8cfeb181..b206c20722 100644 --- a/src/dimred/SketchMap.cpp +++ b/src/dimred/SketchMap.cpp @@ -40,7 +40,7 @@ class SketchMap : public ActionShortcut { explicit SketchMap( const ActionOptions& ); }; -PLUMED_REGISTER_ACTION(SketchMap,"SKETCH_MAP") +PLUMED_REGISTER_ACTION(SketchMap,SKETCH_MAP) void SketchMap::registerKeywords( Keywords& keys ) { ActionShortcut::registerKeywords( keys ); diff --git a/src/dimred/SketchMapConjGrad.cpp b/src/dimred/SketchMapConjGrad.cpp index b336e49f1a..0b1a405528 100644 --- a/src/dimred/SketchMapConjGrad.cpp +++ b/src/dimred/SketchMapConjGrad.cpp @@ -44,7 +44,7 @@ class SketchMapConjGrad : public SketchMapBase { void minimise( Matrix& ) override; }; -PLUMED_REGISTER_ACTION(SketchMapConjGrad,"SKETCHMAP_CONJGRAD") +PLUMED_REGISTER_ACTION(SketchMapConjGrad,SKETCHMAP_CONJGRAD) void SketchMapConjGrad::registerKeywords( Keywords& keys ) { SketchMapBase::registerKeywords( keys ); diff --git a/src/dimred/SketchMapPointwise.cpp b/src/dimred/SketchMapPointwise.cpp index 3cc80639d2..3c734b9607 100644 --- a/src/dimred/SketchMapPointwise.cpp +++ b/src/dimred/SketchMapPointwise.cpp @@ -47,7 +47,7 @@ class SketchMapPointwise : public SketchMapBase { void minimise( Matrix& ) override; }; -PLUMED_REGISTER_ACTION(SketchMapPointwise,"SKETCHMAP_POINTWISE") +PLUMED_REGISTER_ACTION(SketchMapPointwise,SKETCHMAP_POINTWISE) void SketchMapPointwise::registerKeywords( Keywords& keys ) { SketchMapBase::registerKeywords( keys ); diff --git a/src/dimred/SketchMapRead.cpp b/src/dimred/SketchMapRead.cpp index 91ef050ce2..89360d33e9 100644 --- a/src/dimred/SketchMapRead.cpp +++ b/src/dimred/SketchMapRead.cpp @@ -63,7 +63,7 @@ class SketchMapRead : public SketchMapBase { double getWeight( const unsigned& idata ) override; }; -PLUMED_REGISTER_ACTION(SketchMapRead,"SKETCHMAP_READ") +PLUMED_REGISTER_ACTION(SketchMapRead,SKETCHMAP_READ) void SketchMapRead::registerKeywords( Keywords& keys ) { SketchMapBase::registerKeywords( keys ); keys.remove("USE_OUTPUT_DATA_FROM"); diff --git a/src/dimred/SketchMapSmacof.cpp b/src/dimred/SketchMapSmacof.cpp index 0fc67ad869..e193c9978a 100644 --- a/src/dimred/SketchMapSmacof.cpp +++ b/src/dimred/SketchMapSmacof.cpp @@ -46,7 +46,7 @@ class SketchMapSmacof : public SketchMapBase { void minimise( Matrix& ) override; }; -PLUMED_REGISTER_ACTION(SketchMapSmacof,"SKETCHMAP_SMACOF") +PLUMED_REGISTER_ACTION(SketchMapSmacof,SKETCHMAP_SMACOF) void SketchMapSmacof::registerKeywords( Keywords& keys ) { SketchMapBase::registerKeywords( keys ); diff --git a/src/dimred/SmacoffMDS.cpp b/src/dimred/SmacoffMDS.cpp index 1a10403a1e..7c53777fd8 100644 --- a/src/dimred/SmacoffMDS.cpp +++ b/src/dimred/SmacoffMDS.cpp @@ -45,7 +45,7 @@ class SmacofMDS : public DimensionalityReductionBase { void calculateProjections( const Matrix&, Matrix& ) override; }; -PLUMED_REGISTER_ACTION(SmacofMDS,"SMACOF_MDS") +PLUMED_REGISTER_ACTION(SmacofMDS,SMACOF_MDS) void SmacofMDS::registerKeywords( Keywords& keys ) { DimensionalityReductionBase::registerKeywords( keys ); diff --git a/src/drr/DynamicReferenceRestraining.cpp b/src/drr/DynamicReferenceRestraining.cpp index 3b4d4c0fde..067bf1f31a 100644 --- a/src/drr/DynamicReferenceRestraining.cpp +++ b/src/drr/DynamicReferenceRestraining.cpp @@ -242,7 +242,7 @@ class DynamicReferenceRestraining : public Bias { bool is_file_exist(const char *fileName); }; -PLUMED_REGISTER_ACTION(DynamicReferenceRestraining, "DRR") +PLUMED_REGISTER_ACTION(DynamicReferenceRestraining, DRR) void DynamicReferenceRestraining::registerKeywords(Keywords &keys) { Bias::registerKeywords(keys); diff --git a/src/eds/EDS.cpp b/src/eds/EDS.cpp index 5aaacbef53..fd6f0c01eb 100644 --- a/src/eds/EDS.cpp +++ b/src/eds/EDS.cpp @@ -277,7 +277,7 @@ class EDS : public Bias ~EDS(); }; -PLUMED_REGISTER_ACTION(EDS, "EDS") +PLUMED_REGISTER_ACTION(EDS, EDS) void EDS::registerKeywords(Keywords &keys) { diff --git a/src/fisst/FISST.cpp b/src/fisst/FISST.cpp index 70bcfd124f..dc2d576ec7 100644 --- a/src/fisst/FISST.cpp +++ b/src/fisst/FISST.cpp @@ -164,7 +164,7 @@ class FISST : public Bias { ~FISST(); }; -PLUMED_REGISTER_ACTION(FISST,"FISST") +PLUMED_REGISTER_ACTION(FISST,FISST) void FISST::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/function/Combine.cpp b/src/function/Combine.cpp index f0cb547907..0eb4bebca9 100644 --- a/src/function/Combine.cpp +++ b/src/function/Combine.cpp @@ -87,7 +87,7 @@ class Combine : }; -PLUMED_REGISTER_ACTION(Combine,"COMBINE") +PLUMED_REGISTER_ACTION(Combine,COMBINE) void Combine::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/Custom.cpp b/src/function/Custom.cpp index d6ec8ba108..63c31f5243 100644 --- a/src/function/Custom.cpp +++ b/src/function/Custom.cpp @@ -176,7 +176,7 @@ class Custom : static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(Custom,"CUSTOM") +PLUMED_REGISTER_ACTION(Custom,CUSTOM) //+PLUMEDOC FUNCTION MATHEVAL /* @@ -206,7 +206,7 @@ class Matheval : public Custom { }; -PLUMED_REGISTER_ACTION(Custom,"MATHEVAL") +PLUMED_REGISTER_ACTION(Custom,MATHEVAL) void Custom::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/Ensemble.cpp b/src/function/Ensemble.cpp index 3f3089ad40..0f254fd5c3 100644 --- a/src/function/Ensemble.cpp +++ b/src/function/Ensemble.cpp @@ -68,7 +68,7 @@ class Ensemble : }; -PLUMED_REGISTER_ACTION(Ensemble,"ENSEMBLE") +PLUMED_REGISTER_ACTION(Ensemble,ENSEMBLE) void Ensemble::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/FuncPathGeneral.cpp b/src/function/FuncPathGeneral.cpp index 778f86c135..1808741828 100644 --- a/src/function/FuncPathGeneral.cpp +++ b/src/function/FuncPathGeneral.cpp @@ -123,7 +123,7 @@ class FuncPathGeneral : public Function { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(FuncPathGeneral, "FUNCPATHGENERAL") +PLUMED_REGISTER_ACTION(FuncPathGeneral, FUNCPATHGENERAL) void FuncPathGeneral::loadReference() { IFile input; diff --git a/src/function/FuncPathMSD.cpp b/src/function/FuncPathMSD.cpp index 901fd1d869..af5b71b0c3 100644 --- a/src/function/FuncPathMSD.cpp +++ b/src/function/FuncPathMSD.cpp @@ -215,7 +215,7 @@ class FuncPathMSD : public Function { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(FuncPathMSD,"FUNCPATHMSD") +PLUMED_REGISTER_ACTION(FuncPathMSD,FUNCPATHMSD) void FuncPathMSD::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/FuncSumHills.cpp b/src/function/FuncSumHills.cpp index bbc567cead..9802b6e2a4 100644 --- a/src/function/FuncSumHills.cpp +++ b/src/function/FuncSumHills.cpp @@ -196,7 +196,7 @@ class FuncSumHills : static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(FuncSumHills,"FUNCSUMHILLS") +PLUMED_REGISTER_ACTION(FuncSumHills,FUNCSUMHILLS) void FuncSumHills::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/LocalEnsemble.cpp b/src/function/LocalEnsemble.cpp index 2aa79547c6..e41af9cf75 100644 --- a/src/function/LocalEnsemble.cpp +++ b/src/function/LocalEnsemble.cpp @@ -85,7 +85,7 @@ class LocalEnsemble : }; -PLUMED_REGISTER_ACTION(LocalEnsemble,"LOCALENSEMBLE") +PLUMED_REGISTER_ACTION(LocalEnsemble,LOCALENSEMBLE) void LocalEnsemble::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/Piecewise.cpp b/src/function/Piecewise.cpp index 16c2330af6..4d734f28e4 100644 --- a/src/function/Piecewise.cpp +++ b/src/function/Piecewise.cpp @@ -76,7 +76,7 @@ class Piecewise : }; -PLUMED_REGISTER_ACTION(Piecewise,"PIECEWISE") +PLUMED_REGISTER_ACTION(Piecewise,PIECEWISE) void Piecewise::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/Sort.cpp b/src/function/Sort.cpp index ca92ff2ec6..08994914d0 100644 --- a/src/function/Sort.cpp +++ b/src/function/Sort.cpp @@ -61,7 +61,7 @@ class Sort : }; -PLUMED_REGISTER_ACTION(Sort,"SORT") +PLUMED_REGISTER_ACTION(Sort,SORT) void Sort::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/Stats.cpp b/src/function/Stats.cpp index 11dc0f2fa3..dd9f57a13c 100644 --- a/src/function/Stats.cpp +++ b/src/function/Stats.cpp @@ -67,7 +67,7 @@ class Stats : }; -PLUMED_REGISTER_ACTION(Stats,"STATS") +PLUMED_REGISTER_ACTION(Stats,STATS) void Stats::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/Target.cpp b/src/function/Target.cpp index 7d5985f18b..a3e5e4e067 100644 --- a/src/function/Target.cpp +++ b/src/function/Target.cpp @@ -105,7 +105,7 @@ class Target : public Function { static void registerKeywords(Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Target,"TARGET") +PLUMED_REGISTER_ACTION(Target,TARGET) void Target::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/funnel/FPS.cpp b/src/funnel/FPS.cpp index 90c93e1606..c7ff265b56 100644 --- a/src/funnel/FPS.cpp +++ b/src/funnel/FPS.cpp @@ -115,7 +115,7 @@ class FUNNEL_PS : public Colvar { using namespace std; -PLUMED_REGISTER_ACTION(FUNNEL_PS,"FUNNEL_PS") +PLUMED_REGISTER_ACTION(FUNNEL_PS,FUNNEL_PS) void FUNNEL_PS::registerKeywords(Keywords& keys) { Colvar::registerKeywords( keys ); diff --git a/src/funnel/Funnel.cpp b/src/funnel/Funnel.cpp index bb696f88a3..4b25c8aff1 100644 --- a/src/funnel/Funnel.cpp +++ b/src/funnel/Funnel.cpp @@ -140,7 +140,7 @@ class Funnel : public Bias { // const string& funcl); }; -PLUMED_REGISTER_ACTION(Funnel,"FUNNEL") +PLUMED_REGISTER_ACTION(Funnel,FUNNEL) void Funnel::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/generic/Debug.cpp b/src/generic/Debug.cpp index e7fe458ef8..7e4e35f1d9 100644 --- a/src/generic/Debug.cpp +++ b/src/generic/Debug.cpp @@ -60,7 +60,7 @@ class Debug: void apply() override; }; -PLUMED_REGISTER_ACTION(Debug,"DEBUG") +PLUMED_REGISTER_ACTION(Debug,DEBUG) void Debug::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/DumpAtoms.cpp b/src/generic/DumpAtoms.cpp index 0239b78bea..7192f18252 100644 --- a/src/generic/DumpAtoms.cpp +++ b/src/generic/DumpAtoms.cpp @@ -140,7 +140,7 @@ class DumpAtoms: void update() override ; }; -PLUMED_REGISTER_ACTION(DumpAtoms,"DUMPATOMS") +PLUMED_REGISTER_ACTION(DumpAtoms,DUMPATOMS) void DumpAtoms::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/DumpDerivatives.cpp b/src/generic/DumpDerivatives.cpp index 77ae26e9f6..768cfb679a 100644 --- a/src/generic/DumpDerivatives.cpp +++ b/src/generic/DumpDerivatives.cpp @@ -68,7 +68,7 @@ class DumpDerivatives : ~DumpDerivatives(); }; -PLUMED_REGISTER_ACTION(DumpDerivatives,"DUMPDERIVATIVES") +PLUMED_REGISTER_ACTION(DumpDerivatives,DUMPDERIVATIVES) void DumpDerivatives::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/generic/DumpForces.cpp b/src/generic/DumpForces.cpp index 8fc1411f63..3e5f094544 100644 --- a/src/generic/DumpForces.cpp +++ b/src/generic/DumpForces.cpp @@ -66,7 +66,7 @@ class DumpForces : ~DumpForces(); }; -PLUMED_REGISTER_ACTION(DumpForces,"DUMPFORCES") +PLUMED_REGISTER_ACTION(DumpForces,DUMPFORCES) void DumpForces::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/generic/DumpMassCharge.cpp b/src/generic/DumpMassCharge.cpp index 660c44412c..9e33921d15 100644 --- a/src/generic/DumpMassCharge.cpp +++ b/src/generic/DumpMassCharge.cpp @@ -93,7 +93,7 @@ class DumpMassCharge: void update() override; }; -PLUMED_REGISTER_ACTION(DumpMassCharge,"DUMPMASSCHARGE") +PLUMED_REGISTER_ACTION(DumpMassCharge,DUMPMASSCHARGE) void DumpMassCharge::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/DumpProjections.cpp b/src/generic/DumpProjections.cpp index 87d02d7a18..63e18b79da 100644 --- a/src/generic/DumpProjections.cpp +++ b/src/generic/DumpProjections.cpp @@ -64,7 +64,7 @@ class DumpProjections : ~DumpProjections(); }; -PLUMED_REGISTER_ACTION(DumpProjections,"DUMPPROJECTIONS") +PLUMED_REGISTER_ACTION(DumpProjections,DUMPPROJECTIONS) void DumpProjections::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/generic/EffectiveEnergyDrift.cpp b/src/generic/EffectiveEnergyDrift.cpp index ada9b836ca..8dba8bf403 100644 --- a/src/generic/EffectiveEnergyDrift.cpp +++ b/src/generic/EffectiveEnergyDrift.cpp @@ -120,7 +120,7 @@ class EffectiveEnergyDrift: void update() override; }; -PLUMED_REGISTER_ACTION(EffectiveEnergyDrift,"EFFECTIVE_ENERGY_DRIFT") +PLUMED_REGISTER_ACTION(EffectiveEnergyDrift,EFFECTIVE_ENERGY_DRIFT) void EffectiveEnergyDrift::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/EndPlumed.cpp b/src/generic/EndPlumed.cpp index 8323d34599..aadf4bd167 100644 --- a/src/generic/EndPlumed.cpp +++ b/src/generic/EndPlumed.cpp @@ -62,7 +62,7 @@ class EndPlumed: void apply() override {} }; -PLUMED_REGISTER_ACTION(EndPlumed,"ENDPLUMED") +PLUMED_REGISTER_ACTION(EndPlumed,ENDPLUMED) void EndPlumed::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/FitToTemplate.cpp b/src/generic/FitToTemplate.cpp index 7d3e63ff4e..aff85ea0f5 100644 --- a/src/generic/FitToTemplate.cpp +++ b/src/generic/FitToTemplate.cpp @@ -198,7 +198,7 @@ class FitToTemplate: unsigned getNumberOfDerivatives() override {plumed_merror("You should not call this function");}; }; -PLUMED_REGISTER_ACTION(FitToTemplate,"FIT_TO_TEMPLATE") +PLUMED_REGISTER_ACTION(FitToTemplate,FIT_TO_TEMPLATE) void FitToTemplate::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/Flush.cpp b/src/generic/Flush.cpp index 374ba30c8f..2d40257c54 100644 --- a/src/generic/Flush.cpp +++ b/src/generic/Flush.cpp @@ -76,7 +76,7 @@ class Flush: } }; -PLUMED_REGISTER_ACTION(Flush,"FLUSH") +PLUMED_REGISTER_ACTION(Flush,FLUSH) void Flush::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/Group.cpp b/src/generic/Group.cpp index 32505dd994..5ea6c28185 100644 --- a/src/generic/Group.cpp +++ b/src/generic/Group.cpp @@ -140,7 +140,7 @@ class Group: void apply() override {} }; -PLUMED_REGISTER_ACTION(Group,"GROUP") +PLUMED_REGISTER_ACTION(Group,GROUP) Group::Group(const ActionOptions&ao): Action(ao), diff --git a/src/generic/Include.cpp b/src/generic/Include.cpp index f8b44ffddd..c325c6e66c 100644 --- a/src/generic/Include.cpp +++ b/src/generic/Include.cpp @@ -157,7 +157,7 @@ class Include : void apply() override {} }; -PLUMED_REGISTER_ACTION(Include,"INCLUDE") +PLUMED_REGISTER_ACTION(Include,INCLUDE) void Include::registerKeywords( Keywords& keys ) { Action::registerKeywords(keys); diff --git a/src/generic/MolInfo.cpp b/src/generic/MolInfo.cpp index aa5da94874..e950315a68 100644 --- a/src/generic/MolInfo.cpp +++ b/src/generic/MolInfo.cpp @@ -263,7 +263,7 @@ compilation will exclude it from plumed. typedef PLMD::GenericMolInfo MolInfo; -PLUMED_REGISTER_ACTION(MolInfo,"MOLINFO") +PLUMED_REGISTER_ACTION(MolInfo,MOLINFO) } } diff --git a/src/generic/Plumed.cpp b/src/generic/Plumed.cpp index cea724a2ae..a361ed5dc4 100644 --- a/src/generic/Plumed.cpp +++ b/src/generic/Plumed.cpp @@ -169,7 +169,7 @@ class Plumed: } }; -PLUMED_REGISTER_ACTION(Plumed,"PLUMED") +PLUMED_REGISTER_ACTION(Plumed,PLUMED) void Plumed::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/Print.cpp b/src/generic/Print.cpp index f1356646f9..4ab59e5b86 100644 --- a/src/generic/Print.cpp +++ b/src/generic/Print.cpp @@ -92,7 +92,7 @@ class Print : ~Print(); }; -PLUMED_REGISTER_ACTION(Print,"PRINT") +PLUMED_REGISTER_ACTION(Print,PRINT) void Print::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/generic/RandomExchanges.cpp b/src/generic/RandomExchanges.cpp index 027e8e0a88..2bd4edc4a0 100644 --- a/src/generic/RandomExchanges.cpp +++ b/src/generic/RandomExchanges.cpp @@ -80,7 +80,7 @@ class RandomExchanges: void apply() override {} }; -PLUMED_REGISTER_ACTION(RandomExchanges,"RANDOM_EXCHANGES") +PLUMED_REGISTER_ACTION(RandomExchanges,RANDOM_EXCHANGES) void RandomExchanges::registerKeywords( Keywords& keys ) { Action::registerKeywords(keys); diff --git a/src/generic/Read.cpp b/src/generic/Read.cpp index d90c6852e5..c99a1b45c1 100644 --- a/src/generic/Read.cpp +++ b/src/generic/Read.cpp @@ -105,7 +105,7 @@ class Read : void turnOnDerivatives() override; }; -PLUMED_REGISTER_ACTION(Read,"READ") +PLUMED_REGISTER_ACTION(Read,READ) void Read::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/generic/ResetCell.cpp b/src/generic/ResetCell.cpp index 98b76f09b8..10838a03fe 100644 --- a/src/generic/ResetCell.cpp +++ b/src/generic/ResetCell.cpp @@ -103,7 +103,7 @@ class ResetCell: void apply() override; }; -PLUMED_REGISTER_ACTION(ResetCell,"RESET_CELL") +PLUMED_REGISTER_ACTION(ResetCell,RESET_CELL) void ResetCell::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/Time.cpp b/src/generic/Time.cpp index 3e0811f412..c342567451 100644 --- a/src/generic/Time.cpp +++ b/src/generic/Time.cpp @@ -51,7 +51,7 @@ class Time : public ActionWithValue { unsigned getNumberOfDerivatives() override { return 0; } }; -PLUMED_REGISTER_ACTION(Time,"TIME") +PLUMED_REGISTER_ACTION(Time,TIME) void Time::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/UpdateIf.cpp b/src/generic/UpdateIf.cpp index a7abb36d04..5b22460e02 100644 --- a/src/generic/UpdateIf.cpp +++ b/src/generic/UpdateIf.cpp @@ -94,7 +94,7 @@ class UpdateIf: ~UpdateIf(); }; -PLUMED_REGISTER_ACTION(UpdateIf,"UPDATE_IF") +PLUMED_REGISTER_ACTION(UpdateIf,UPDATE_IF) void UpdateIf::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/generic/WholeMolecules.cpp b/src/generic/WholeMolecules.cpp index c7ac2a45ae..1273c942f6 100644 --- a/src/generic/WholeMolecules.cpp +++ b/src/generic/WholeMolecules.cpp @@ -115,7 +115,7 @@ class WholeMolecules: void apply() override {} }; -PLUMED_REGISTER_ACTION(WholeMolecules,"WHOLEMOLECULES") +PLUMED_REGISTER_ACTION(WholeMolecules,WHOLEMOLECULES) void WholeMolecules::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/WrapAround.cpp b/src/generic/WrapAround.cpp index e706e177d5..f3ddebc5f9 100644 --- a/src/generic/WrapAround.cpp +++ b/src/generic/WrapAround.cpp @@ -160,7 +160,7 @@ class WrapAround: void apply() override {} }; -PLUMED_REGISTER_ACTION(WrapAround,"WRAPAROUND") +PLUMED_REGISTER_ACTION(WrapAround,WRAPAROUND) void WrapAround::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/gridtools/ConvertToFES.cpp b/src/gridtools/ConvertToFES.cpp index bfc45887c3..917243d2b5 100644 --- a/src/gridtools/ConvertToFES.cpp +++ b/src/gridtools/ConvertToFES.cpp @@ -78,7 +78,7 @@ class ConvertToFES : public ActionWithInputGrid { void runFinalJobs() override; }; -PLUMED_REGISTER_ACTION(ConvertToFES,"CONVERT_TO_FES") +PLUMED_REGISTER_ACTION(ConvertToFES,CONVERT_TO_FES) void ConvertToFES::registerKeywords( Keywords& keys ) { ActionWithInputGrid::registerKeywords( keys ); diff --git a/src/gridtools/DumpCube.cpp b/src/gridtools/DumpCube.cpp index 071cb6414e..1f6f98bf18 100644 --- a/src/gridtools/DumpCube.cpp +++ b/src/gridtools/DumpCube.cpp @@ -70,7 +70,7 @@ class DumpCube : public GridPrintingBase { void printGrid( OFile& ofile ) const override; }; -PLUMED_REGISTER_ACTION(DumpCube,"DUMPCUBE") +PLUMED_REGISTER_ACTION(DumpCube,DUMPCUBE) void DumpCube::registerKeywords( Keywords& keys ) { GridPrintingBase::registerKeywords( keys ); diff --git a/src/gridtools/DumpGrid.cpp b/src/gridtools/DumpGrid.cpp index 3551332269..cbe12fbaa5 100644 --- a/src/gridtools/DumpGrid.cpp +++ b/src/gridtools/DumpGrid.cpp @@ -146,7 +146,7 @@ class DumpGrid : public GridPrintingBase { void printGrid( OFile& ofile ) const override; }; -PLUMED_REGISTER_ACTION(DumpGrid,"DUMPGRID") +PLUMED_REGISTER_ACTION(DumpGrid,DUMPGRID) void DumpGrid::registerKeywords( Keywords& keys ) { GridPrintingBase::registerKeywords( keys ); diff --git a/src/gridtools/FindContour.cpp b/src/gridtools/FindContour.cpp index ca74268b33..e14984c418 100644 --- a/src/gridtools/FindContour.cpp +++ b/src/gridtools/FindContour.cpp @@ -110,7 +110,7 @@ class FindContour : public ContourFindingBase { void finishAveraging() override; }; -PLUMED_REGISTER_ACTION(FindContour,"FIND_CONTOUR") +PLUMED_REGISTER_ACTION(FindContour,FIND_CONTOUR) void FindContour::registerKeywords( Keywords& keys ) { ContourFindingBase::registerKeywords( keys ); diff --git a/src/gridtools/FindContourSurface.cpp b/src/gridtools/FindContourSurface.cpp index 5726a713ae..45dd7dfc9a 100644 --- a/src/gridtools/FindContourSurface.cpp +++ b/src/gridtools/FindContourSurface.cpp @@ -103,7 +103,7 @@ class FindContourSurface : public ContourFindingBase { void finishAveraging() override; }; -PLUMED_REGISTER_ACTION(FindContourSurface,"FIND_CONTOUR_SURFACE") +PLUMED_REGISTER_ACTION(FindContourSurface,FIND_CONTOUR_SURFACE) void FindContourSurface::registerKeywords( Keywords& keys ) { ContourFindingBase::registerKeywords( keys ); diff --git a/src/gridtools/FindSphericalContour.cpp b/src/gridtools/FindSphericalContour.cpp index 5d51ca2274..2db261588c 100644 --- a/src/gridtools/FindSphericalContour.cpp +++ b/src/gridtools/FindSphericalContour.cpp @@ -119,7 +119,7 @@ class FindSphericalContour : public ContourFindingBase { void compute( const unsigned& current, MultiValue& myvals ) const override; }; -PLUMED_REGISTER_ACTION(FindSphericalContour,"FIND_SPHERICAL_CONTOUR") +PLUMED_REGISTER_ACTION(FindSphericalContour,FIND_SPHERICAL_CONTOUR) void FindSphericalContour::registerKeywords( Keywords& keys ) { ContourFindingBase::registerKeywords( keys ); diff --git a/src/gridtools/FourierTransform.cpp b/src/gridtools/FourierTransform.cpp index 6398448191..917fce17ef 100644 --- a/src/gridtools/FourierTransform.cpp +++ b/src/gridtools/FourierTransform.cpp @@ -84,7 +84,7 @@ class FourierTransform : public ActionWithInputGrid { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(FourierTransform,"FOURIER_TRANSFORM") +PLUMED_REGISTER_ACTION(FourierTransform,FOURIER_TRANSFORM) void FourierTransform::registerKeywords( Keywords& keys ) { ActionWithInputGrid::registerKeywords( keys ); keys.remove("BANDWIDTH"); keys.remove("KERNEL"); diff --git a/src/gridtools/GridToXYZ.cpp b/src/gridtools/GridToXYZ.cpp index 033f7ac68b..79d931f600 100644 --- a/src/gridtools/GridToXYZ.cpp +++ b/src/gridtools/GridToXYZ.cpp @@ -47,7 +47,7 @@ class GridToXYZ : public GridPrintingBase { void printGrid( OFile& ofile ) const override; }; -PLUMED_REGISTER_ACTION(GridToXYZ,"GRID_TO_XYZ") +PLUMED_REGISTER_ACTION(GridToXYZ,GRID_TO_XYZ) void GridToXYZ::registerKeywords( Keywords& keys ) { GridPrintingBase::registerKeywords( keys ); diff --git a/src/gridtools/IntegrateGrid.cpp b/src/gridtools/IntegrateGrid.cpp index e3abba97c2..8a34a4bfd5 100644 --- a/src/gridtools/IntegrateGrid.cpp +++ b/src/gridtools/IntegrateGrid.cpp @@ -41,7 +41,7 @@ class IntegrateGrid : public ActionWithIntegral { void compute( const unsigned& current, MultiValue& myvals ) const override; }; -PLUMED_REGISTER_ACTION(IntegrateGrid,"INTEGRATE_GRID") +PLUMED_REGISTER_ACTION(IntegrateGrid,INTEGRATE_GRID) void IntegrateGrid::registerKeywords( Keywords& keys ) { ActionWithIntegral::registerKeywords( keys ); diff --git a/src/gridtools/InterpolateGrid.cpp b/src/gridtools/InterpolateGrid.cpp index e0335b53ba..bef08cd360 100644 --- a/src/gridtools/InterpolateGrid.cpp +++ b/src/gridtools/InterpolateGrid.cpp @@ -59,7 +59,7 @@ class InterpolateGrid : public ActionWithInputGrid { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(InterpolateGrid,"INTERPOLATE_GRID") +PLUMED_REGISTER_ACTION(InterpolateGrid,INTERPOLATE_GRID) void InterpolateGrid::registerKeywords( Keywords& keys ) { ActionWithInputGrid::registerKeywords( keys ); diff --git a/src/isdb/CS2Backbone.cpp b/src/isdb/CS2Backbone.cpp index f6e40be6b2..6079a531c2 100644 --- a/src/isdb/CS2Backbone.cpp +++ b/src/isdb/CS2Backbone.cpp @@ -495,7 +495,7 @@ class CS2Backbone : public MetainferenceBase { void update() override; }; -PLUMED_REGISTER_ACTION(CS2Backbone,"CS2BACKBONE") +PLUMED_REGISTER_ACTION(CS2Backbone,CS2BACKBONE) void CS2Backbone::registerKeywords( Keywords& keys ) { componentsAreNotOptional(keys); diff --git a/src/isdb/Caliber.cpp b/src/isdb/Caliber.cpp index e6e78c3331..02a0b37946 100644 --- a/src/isdb/Caliber.cpp +++ b/src/isdb/Caliber.cpp @@ -120,7 +120,7 @@ class Caliber : public bias::Bias { void do_regression_zero(const std::vector &mean); }; -PLUMED_REGISTER_ACTION(Caliber,"CALIBER") +PLUMED_REGISTER_ACTION(Caliber,CALIBER) void Caliber::registerKeywords( Keywords& keys ) { Bias::registerKeywords(keys); diff --git a/src/isdb/EMMI.cpp b/src/isdb/EMMI.cpp index bf64240334..ae368a3abd 100644 --- a/src/isdb/EMMI.cpp +++ b/src/isdb/EMMI.cpp @@ -381,7 +381,7 @@ void EMMI::setBoxDerivatives(Value* v,const Tensor&d) { v->addDerivative(noa+3*nat+8,d(2,2)); } -PLUMED_REGISTER_ACTION(EMMI,"EMMI") +PLUMED_REGISTER_ACTION(EMMI,EMMI) void EMMI::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/isdb/FretEfficiency.cpp b/src/isdb/FretEfficiency.cpp index 19c24ca2a5..02d8821e52 100644 --- a/src/isdb/FretEfficiency.cpp +++ b/src/isdb/FretEfficiency.cpp @@ -90,7 +90,7 @@ class FretEfficiency : public Colvar { void calculate() override; }; -PLUMED_REGISTER_ACTION(FretEfficiency,"FRET") +PLUMED_REGISTER_ACTION(FretEfficiency,FRET) void FretEfficiency::registerKeywords( Keywords& keys ) { Colvar::registerKeywords( keys ); diff --git a/src/isdb/Jcoupling.cpp b/src/isdb/Jcoupling.cpp index 27e7f5af90..fd31917a1f 100644 --- a/src/isdb/Jcoupling.cpp +++ b/src/isdb/Jcoupling.cpp @@ -103,7 +103,7 @@ class JCoupling : void update() override; }; -PLUMED_REGISTER_ACTION(JCoupling, "JCOUPLING") +PLUMED_REGISTER_ACTION(JCoupling, JCOUPLING) void JCoupling::registerKeywords(Keywords& keys) { componentsAreNotOptional(keys); diff --git a/src/isdb/Metainference.cpp b/src/isdb/Metainference.cpp index c9b81317d8..459f30f9ac 100644 --- a/src/isdb/Metainference.cpp +++ b/src/isdb/Metainference.cpp @@ -282,7 +282,7 @@ class Metainference : public bias::Bias }; -PLUMED_REGISTER_ACTION(Metainference,"METAINFERENCE") +PLUMED_REGISTER_ACTION(Metainference,METAINFERENCE) void Metainference::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/isdb/NOE.cpp b/src/isdb/NOE.cpp index cd86ed37f6..aa9fb14081 100644 --- a/src/isdb/NOE.cpp +++ b/src/isdb/NOE.cpp @@ -79,7 +79,7 @@ class NOE : void update() override; }; -PLUMED_REGISTER_ACTION(NOE,"NOE") +PLUMED_REGISTER_ACTION(NOE,NOE) void NOE::registerKeywords( Keywords& keys ) { componentsAreNotOptional(keys); diff --git a/src/isdb/PRE.cpp b/src/isdb/PRE.cpp index 860cc21b2b..abdbda665f 100644 --- a/src/isdb/PRE.cpp +++ b/src/isdb/PRE.cpp @@ -86,7 +86,7 @@ class PRE : void update() override; }; -PLUMED_REGISTER_ACTION(PRE,"PRE") +PLUMED_REGISTER_ACTION(PRE,PRE) void PRE::registerKeywords( Keywords& keys ) { componentsAreNotOptional(keys); diff --git a/src/isdb/RDC.cpp b/src/isdb/RDC.cpp index 7c4deae748..c458733072 100644 --- a/src/isdb/RDC.cpp +++ b/src/isdb/RDC.cpp @@ -217,8 +217,8 @@ class RDC : void update() override; }; -PLUMED_REGISTER_ACTION(RDC,"RDC") -PLUMED_REGISTER_ACTION(RDC,"PCS") +PLUMED_REGISTER_ACTION(RDC,RDC) +PLUMED_REGISTER_ACTION(RDC,PCS) void RDC::registerKeywords( Keywords& keys ) { componentsAreNotOptional(keys); diff --git a/src/isdb/Rescale.cpp b/src/isdb/Rescale.cpp index e0bfb09c7c..f0f3868314 100644 --- a/src/isdb/Rescale.cpp +++ b/src/isdb/Rescale.cpp @@ -159,7 +159,7 @@ class Rescale : public bias::Bias }; -PLUMED_REGISTER_ACTION(Rescale,"RESCALE") +PLUMED_REGISTER_ACTION(Rescale,RESCALE) void Rescale::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/isdb/SAXS.cpp b/src/isdb/SAXS.cpp index d88d88f4cf..85f62298c8 100644 --- a/src/isdb/SAXS.cpp +++ b/src/isdb/SAXS.cpp @@ -279,8 +279,8 @@ class SAXS : void update() override; }; -PLUMED_REGISTER_ACTION(SAXS,"SAXS") -PLUMED_REGISTER_ACTION(SAXS,"SANS") +PLUMED_REGISTER_ACTION(SAXS,SAXS) +PLUMED_REGISTER_ACTION(SAXS,SANS) void SAXS::registerKeywords(Keywords& keys) { componentsAreNotOptional(keys); diff --git a/src/isdb/Select.cpp b/src/isdb/Select.cpp index 28ead4ce92..1b4174b6e4 100644 --- a/src/isdb/Select.cpp +++ b/src/isdb/Select.cpp @@ -74,7 +74,7 @@ class Select : public function::Function static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(Select,"SELECT") +PLUMED_REGISTER_ACTION(Select,SELECT) void Select::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/isdb/Selector.cpp b/src/isdb/Selector.cpp index f3e2e959c7..88263c7b5f 100644 --- a/src/isdb/Selector.cpp +++ b/src/isdb/Selector.cpp @@ -69,7 +69,7 @@ class Selector: void apply() override {} }; -PLUMED_REGISTER_ACTION(Selector,"SELECTOR") +PLUMED_REGISTER_ACTION(Selector,SELECTOR) void Selector::registerKeywords( Keywords& keys ) { Action::registerKeywords(keys); diff --git a/src/logmfd/LogMFD.cpp b/src/logmfd/LogMFD.cpp index ef7c6043d2..bc0cc0b10c 100644 --- a/src/logmfd/LogMFD.cpp +++ b/src/logmfd/LogMFD.cpp @@ -455,7 +455,7 @@ class LogMFD : public Bias { } }; -PLUMED_REGISTER_ACTION(LogMFD,"LOGMFD") +PLUMED_REGISTER_ACTION(LogMFD,LOGMFD) /** \brief instruction of parameters for Plumed manual. diff --git a/src/manyrestraints/LWalls.cpp b/src/manyrestraints/LWalls.cpp index 60df1436ef..3c5cbac9e6 100644 --- a/src/manyrestraints/LWalls.cpp +++ b/src/manyrestraints/LWalls.cpp @@ -68,7 +68,7 @@ class LWalls : public ManyRestraintsBase { double calcPotential( const double& val, double& df ) const override; }; -PLUMED_REGISTER_ACTION(LWalls,"LWALLS") +PLUMED_REGISTER_ACTION(LWalls,LWALLS) void LWalls::registerKeywords( Keywords& keys ) { ManyRestraintsBase::registerKeywords( keys ); diff --git a/src/manyrestraints/UWalls.cpp b/src/manyrestraints/UWalls.cpp index 470d342a39..dc1600009c 100644 --- a/src/manyrestraints/UWalls.cpp +++ b/src/manyrestraints/UWalls.cpp @@ -72,7 +72,7 @@ class UWalls : public ManyRestraintsBase { double calcPotential( const double& val, double& df ) const override; }; -PLUMED_REGISTER_ACTION(UWalls,"UWALLS") +PLUMED_REGISTER_ACTION(UWalls,UWALLS) void UWalls::registerKeywords( Keywords& keys ) { ManyRestraintsBase::registerKeywords( keys ); diff --git a/src/mapping/AdaptivePath.cpp b/src/mapping/AdaptivePath.cpp index 8754d88f77..a0d68d5d1f 100644 --- a/src/mapping/AdaptivePath.cpp +++ b/src/mapping/AdaptivePath.cpp @@ -110,7 +110,7 @@ class AdaptivePath : public Mapping { void update() override; }; -PLUMED_REGISTER_ACTION(AdaptivePath,"ADAPTIVE_PATH") +PLUMED_REGISTER_ACTION(AdaptivePath,ADAPTIVE_PATH) void AdaptivePath::registerKeywords( Keywords& keys ) { Mapping::registerKeywords( keys ); keys.remove("PROPERTY"); diff --git a/src/mapping/PCAVars.cpp b/src/mapping/PCAVars.cpp index 9bef5ec738..85eb87622b 100644 --- a/src/mapping/PCAVars.cpp +++ b/src/mapping/PCAVars.cpp @@ -194,7 +194,7 @@ class PCAVars : void apply() override; }; -PLUMED_REGISTER_ACTION(PCAVars,"PCAVARS") +PLUMED_REGISTER_ACTION(PCAVars,PCAVARS) void PCAVars::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/mapping/Path.cpp b/src/mapping/Path.cpp index 345b334b27..60c59e20b4 100644 --- a/src/mapping/Path.cpp +++ b/src/mapping/Path.cpp @@ -136,7 +136,7 @@ class Path : public PathBase { explicit Path(const ActionOptions&); }; -PLUMED_REGISTER_ACTION(Path,"PATH") +PLUMED_REGISTER_ACTION(Path,PATH) void Path::registerKeywords( Keywords& keys ) { PathBase::registerKeywords( keys ); keys.remove("PROPERTY"); diff --git a/src/mapping/PropertyMap.cpp b/src/mapping/PropertyMap.cpp index 2a27d8f894..40de9def74 100644 --- a/src/mapping/PropertyMap.cpp +++ b/src/mapping/PropertyMap.cpp @@ -101,7 +101,7 @@ class PropertyMap : public PathBase { explicit PropertyMap(const ActionOptions&); }; -PLUMED_REGISTER_ACTION(PropertyMap,"GPROPERTYMAP") +PLUMED_REGISTER_ACTION(PropertyMap,GPROPERTYMAP) void PropertyMap::registerKeywords( Keywords& keys ) { PathBase::registerKeywords( keys ); diff --git a/src/maze/Loss.cpp b/src/maze/Loss.cpp index 78addfada0..dd8a584280 100644 --- a/src/maze/Loss.cpp +++ b/src/maze/Loss.cpp @@ -59,7 +59,7 @@ l: MAZE_LOSS PARAMS=1,1,1 //+ENDPLUMEDOC // Registers the LOSS action. -PLUMED_REGISTER_ACTION(Loss, "MAZE_LOSS") +PLUMED_REGISTER_ACTION(Loss, MAZE_LOSS) void Loss::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/maze/Memetic.cpp b/src/maze/Memetic.cpp index 36774e55e7..77d75556ec 100644 --- a/src/maze/Memetic.cpp +++ b/src/maze/Memetic.cpp @@ -80,7 +80,7 @@ The neighbor list can be turned on by providing the NLIST keyword. /** * Register MAZE_MEMETIC_SAMPLING. */ -PLUMED_REGISTER_ACTION(Memetic, "MAZE_MEMETIC_SAMPLING") +PLUMED_REGISTER_ACTION(Memetic, MAZE_MEMETIC_SAMPLING) void Memetic::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/maze/Optimizer_Bias.cpp b/src/maze/Optimizer_Bias.cpp index 1db06adf7f..5316f0b30a 100644 --- a/src/maze/Optimizer_Bias.cpp +++ b/src/maze/Optimizer_Bias.cpp @@ -195,7 +195,7 @@ class OptimizerBias: public bias::Bias { }; // Register OPTIMIZER_BIAS as a keyword for PLUMED2 input files. -PLUMED_REGISTER_ACTION(OptimizerBias, "MAZE_OPTIMIZER_BIAS") +PLUMED_REGISTER_ACTION(OptimizerBias, MAZE_OPTIMIZER_BIAS) void OptimizerBias::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/maze/Random_Acceleration_MD.cpp b/src/maze/Random_Acceleration_MD.cpp index 741fda6e95..c65349a16f 100644 --- a/src/maze/Random_Acceleration_MD.cpp +++ b/src/maze/Random_Acceleration_MD.cpp @@ -109,7 +109,7 @@ class Random_Acceleration_MD: public Optimizer { }; // Register MAZE_RANDOM_ACCELERATION_MD. -PLUMED_REGISTER_ACTION(Random_Acceleration_MD, "MAZE_RANDOM_ACCELERATION_MD") +PLUMED_REGISTER_ACTION(Random_Acceleration_MD, MAZE_RANDOM_ACCELERATION_MD) void Random_Acceleration_MD::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/maze/Random_Walk.cpp b/src/maze/Random_Walk.cpp index 5d82c456e4..3b52a4f272 100644 --- a/src/maze/Random_Walk.cpp +++ b/src/maze/Random_Walk.cpp @@ -94,7 +94,7 @@ class Random_Walk: public Optimizer { }; // Register MAZE_RANDOM_WALK. -PLUMED_REGISTER_ACTION(Random_Walk, "MAZE_RANDOM_WALK") +PLUMED_REGISTER_ACTION(Random_Walk, MAZE_RANDOM_WALK) void Random_Walk::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/maze/Simulated_Annealing.cpp b/src/maze/Simulated_Annealing.cpp index 4edf3003cc..46547466b2 100644 --- a/src/maze/Simulated_Annealing.cpp +++ b/src/maze/Simulated_Annealing.cpp @@ -117,7 +117,7 @@ class Simulated_Annealing: public Optimizer { }; // Register MAZE_SIMULATED_ANNEALING. -PLUMED_REGISTER_ACTION(Simulated_Annealing, "MAZE_SIMULATED_ANNEALING") +PLUMED_REGISTER_ACTION(Simulated_Annealing, MAZE_SIMULATED_ANNEALING) void Simulated_Annealing::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/maze/Steered_MD.cpp b/src/maze/Steered_MD.cpp index 867c354f2c..d0a8570eb1 100644 --- a/src/maze/Steered_MD.cpp +++ b/src/maze/Steered_MD.cpp @@ -102,7 +102,7 @@ class Steered_MD: public Optimizer { }; // Register MAZE_STEERED_MD. -PLUMED_REGISTER_ACTION(Steered_MD, "MAZE_STEERED_MD") +PLUMED_REGISTER_ACTION(Steered_MD, MAZE_STEERED_MD) void Steered_MD::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/membranefusion/FusionPoreExpansionP.cpp b/src/membranefusion/FusionPoreExpansionP.cpp index 5fbc9367f0..7edad44de7 100644 --- a/src/membranefusion/FusionPoreExpansionP.cpp +++ b/src/membranefusion/FusionPoreExpansionP.cpp @@ -82,7 +82,7 @@ class fusionPoreExpansionP : public Colvar static void registerKeywords(Keywords &keys); }; -PLUMED_REGISTER_ACTION(fusionPoreExpansionP, "FUSIONPOREEXPANSIONP") +PLUMED_REGISTER_ACTION(fusionPoreExpansionP, FUSIONPOREEXPANSIONP) void fusionPoreExpansionP::registerKeywords(Keywords &keys) { diff --git a/src/membranefusion/FusionPoreNucleationP.cpp b/src/membranefusion/FusionPoreNucleationP.cpp index 02569c0846..56aa14b355 100644 --- a/src/membranefusion/FusionPoreNucleationP.cpp +++ b/src/membranefusion/FusionPoreNucleationP.cpp @@ -85,7 +85,7 @@ class fusionPoreNucleationP : public Colvar static void registerKeywords(Keywords &keys); }; -PLUMED_REGISTER_ACTION(fusionPoreNucleationP, "FUSIONPORENUCLEATIONP") +PLUMED_REGISTER_ACTION(fusionPoreNucleationP, FUSIONPORENUCLEATIONP) void fusionPoreNucleationP::registerKeywords(Keywords &keys) { diff --git a/src/membranefusion/MemFusionP.cpp b/src/membranefusion/MemFusionP.cpp index 7e7437d9f2..1834e0546b 100644 --- a/src/membranefusion/MemFusionP.cpp +++ b/src/membranefusion/MemFusionP.cpp @@ -86,7 +86,7 @@ class memFusionP : public Colvar static void registerKeywords(Keywords &keys); }; -PLUMED_REGISTER_ACTION(memFusionP, "MEMFUSIONP") +PLUMED_REGISTER_ACTION(memFusionP, MEMFUSIONP) void memFusionP::registerKeywords(Keywords &keys) { diff --git a/src/multicolvar/AlphaBeta.cpp b/src/multicolvar/AlphaBeta.cpp index e6fb1bb57c..bcfcbd05d1 100644 --- a/src/multicolvar/AlphaBeta.cpp +++ b/src/multicolvar/AlphaBeta.cpp @@ -103,7 +103,7 @@ class AlphaBeta : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(AlphaBeta,"ALPHABETA") +PLUMED_REGISTER_ACTION(AlphaBeta,ALPHABETA) void AlphaBeta::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/Angles.cpp b/src/multicolvar/Angles.cpp index 561773e08a..e6e5d48261 100644 --- a/src/multicolvar/Angles.cpp +++ b/src/multicolvar/Angles.cpp @@ -98,7 +98,7 @@ class Angles : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(Angles,"ANGLES") +PLUMED_REGISTER_ACTION(Angles,ANGLES) void Angles::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/Bridge.cpp b/src/multicolvar/Bridge.cpp index f8a072ba1c..e67372ab4b 100644 --- a/src/multicolvar/Bridge.cpp +++ b/src/multicolvar/Bridge.cpp @@ -70,7 +70,7 @@ class Bridge : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(Bridge,"BRIDGE") +PLUMED_REGISTER_ACTION(Bridge,BRIDGE) void Bridge::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/CenterOfMultiColvar.cpp b/src/multicolvar/CenterOfMultiColvar.cpp index f88fbcc6e8..28b9787385 100644 --- a/src/multicolvar/CenterOfMultiColvar.cpp +++ b/src/multicolvar/CenterOfMultiColvar.cpp @@ -93,7 +93,7 @@ class CenterOfMultiColvar : public ActionWithVirtualAtom { void calculate() override; }; -PLUMED_REGISTER_ACTION(CenterOfMultiColvar,"CENTER_OF_MULTICOLVAR") +PLUMED_REGISTER_ACTION(CenterOfMultiColvar,CENTER_OF_MULTICOLVAR) void CenterOfMultiColvar::registerKeywords(Keywords& keys) { ActionWithVirtualAtom::registerKeywords(keys); diff --git a/src/multicolvar/CoordinationNumbers.cpp b/src/multicolvar/CoordinationNumbers.cpp index 6db785f043..4abd93c564 100644 --- a/src/multicolvar/CoordinationNumbers.cpp +++ b/src/multicolvar/CoordinationNumbers.cpp @@ -92,7 +92,7 @@ class CoordinationNumbers : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(CoordinationNumbers,"COORDINATIONNUMBER") +PLUMED_REGISTER_ACTION(CoordinationNumbers,COORDINATIONNUMBER) void CoordinationNumbers::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/Density.cpp b/src/multicolvar/Density.cpp index 679d6d91f5..e25ebad32a 100644 --- a/src/multicolvar/Density.cpp +++ b/src/multicolvar/Density.cpp @@ -65,7 +65,7 @@ class Density : public MultiColvarBase { void getValueForTask( const unsigned& iatom, std::vector& vals ); }; -PLUMED_REGISTER_ACTION(Density,"DENSITY") +PLUMED_REGISTER_ACTION(Density,DENSITY) void Density::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/DihedralCorrelation.cpp b/src/multicolvar/DihedralCorrelation.cpp index 239f128831..22a847544b 100644 --- a/src/multicolvar/DihedralCorrelation.cpp +++ b/src/multicolvar/DihedralCorrelation.cpp @@ -89,7 +89,7 @@ class DihedralCorrelation : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(DihedralCorrelation,"DIHCOR") +PLUMED_REGISTER_ACTION(DihedralCorrelation,DIHCOR) void DihedralCorrelation::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/DistanceFromContour.cpp b/src/multicolvar/DistanceFromContour.cpp index 18acaf1263..983a3e0243 100644 --- a/src/multicolvar/DistanceFromContour.cpp +++ b/src/multicolvar/DistanceFromContour.cpp @@ -97,7 +97,7 @@ class DistanceFromContour : public MultiColvarBase { void apply() override; }; -PLUMED_REGISTER_ACTION(DistanceFromContour,"DISTANCE_FROM_CONTOUR") +PLUMED_REGISTER_ACTION(DistanceFromContour,DISTANCE_FROM_CONTOUR) void DistanceFromContour::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/Distances.cpp b/src/multicolvar/Distances.cpp index 624f49a66e..e943770995 100644 --- a/src/multicolvar/Distances.cpp +++ b/src/multicolvar/Distances.cpp @@ -132,7 +132,7 @@ class Distances : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(Distances,"DISTANCES") +PLUMED_REGISTER_ACTION(Distances,DISTANCES) void Distances::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/DumpMultiColvar.cpp b/src/multicolvar/DumpMultiColvar.cpp index d84e34a507..08e236ca34 100644 --- a/src/multicolvar/DumpMultiColvar.cpp +++ b/src/multicolvar/DumpMultiColvar.cpp @@ -80,7 +80,7 @@ class DumpMultiColvar: void update() override; }; -PLUMED_REGISTER_ACTION(DumpMultiColvar,"DUMPMULTICOLVAR") +PLUMED_REGISTER_ACTION(DumpMultiColvar,DUMPMULTICOLVAR) void DumpMultiColvar::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/multicolvar/FilterBetween.cpp b/src/multicolvar/FilterBetween.cpp index af8042c633..50304c163c 100644 --- a/src/multicolvar/FilterBetween.cpp +++ b/src/multicolvar/FilterBetween.cpp @@ -144,8 +144,8 @@ class FilterBetween : public MultiColvarFilter { double applyFilter( const double& val, double& df ) const override; }; -PLUMED_REGISTER_ACTION(FilterBetween,"MFILTER_BETWEEN") -PLUMED_REGISTER_ACTION(FilterBetween,"MTRANSFORM_BETWEEN") +PLUMED_REGISTER_ACTION(FilterBetween,MFILTER_BETWEEN) +PLUMED_REGISTER_ACTION(FilterBetween,MTRANSFORM_BETWEEN) void FilterBetween::registerKeywords( Keywords& keys ) { MultiColvarFilter::registerKeywords( keys ); diff --git a/src/multicolvar/FilterLessThan.cpp b/src/multicolvar/FilterLessThan.cpp index bd48663f9d..b2594327d7 100644 --- a/src/multicolvar/FilterLessThan.cpp +++ b/src/multicolvar/FilterLessThan.cpp @@ -119,8 +119,8 @@ class FilterLess : public MultiColvarFilter { double applyFilter( const double& val, double& df ) const override; }; -PLUMED_REGISTER_ACTION(FilterLess,"MFILTER_LESS") -PLUMED_REGISTER_ACTION(FilterLess,"MTRANSFORM_LESS") +PLUMED_REGISTER_ACTION(FilterLess,MFILTER_LESS) +PLUMED_REGISTER_ACTION(FilterLess,MTRANSFORM_LESS) void FilterLess::registerKeywords( Keywords& keys ) { MultiColvarFilter::registerKeywords( keys ); diff --git a/src/multicolvar/FilterMoreThan.cpp b/src/multicolvar/FilterMoreThan.cpp index f72d45ec3a..3a151174ba 100644 --- a/src/multicolvar/FilterMoreThan.cpp +++ b/src/multicolvar/FilterMoreThan.cpp @@ -136,8 +136,8 @@ class FilterMore : public MultiColvarFilter { double applyFilter( const double& val, double& df ) const override; }; -PLUMED_REGISTER_ACTION(FilterMore,"MFILTER_MORE") -PLUMED_REGISTER_ACTION(FilterMore,"MTRANSFORM_MORE") +PLUMED_REGISTER_ACTION(FilterMore,MFILTER_MORE) +PLUMED_REGISTER_ACTION(FilterMore,MTRANSFORM_MORE) void FilterMore::registerKeywords( Keywords& keys ) { MultiColvarFilter::registerKeywords( keys ); diff --git a/src/multicolvar/InPlaneDistances.cpp b/src/multicolvar/InPlaneDistances.cpp index 289a4ca01b..baa245b0ed 100644 --- a/src/multicolvar/InPlaneDistances.cpp +++ b/src/multicolvar/InPlaneDistances.cpp @@ -69,7 +69,7 @@ class InPlaneDistances : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(InPlaneDistances,"INPLANEDISTANCES") +PLUMED_REGISTER_ACTION(InPlaneDistances,INPLANEDISTANCES) void InPlaneDistances::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/LocalAverage.cpp b/src/multicolvar/LocalAverage.cpp index 11a9eb3344..f1edbce1f5 100644 --- a/src/multicolvar/LocalAverage.cpp +++ b/src/multicolvar/LocalAverage.cpp @@ -100,7 +100,7 @@ class LocalAverage : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(LocalAverage,"LOCAL_AVERAGE") +PLUMED_REGISTER_ACTION(LocalAverage,LOCAL_AVERAGE) void LocalAverage::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/MultiColvarCombine.cpp b/src/multicolvar/MultiColvarCombine.cpp index 7dd7b96e38..b1195c542e 100644 --- a/src/multicolvar/MultiColvarCombine.cpp +++ b/src/multicolvar/MultiColvarCombine.cpp @@ -50,7 +50,7 @@ class MultiColvarCombine : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(MultiColvarCombine,"MCOLV_COMBINE") +PLUMED_REGISTER_ACTION(MultiColvarCombine,MCOLV_COMBINE) void MultiColvarCombine::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/MultiColvarDensity.cpp b/src/multicolvar/MultiColvarDensity.cpp index 43bf9459c6..644becb09e 100644 --- a/src/multicolvar/MultiColvarDensity.cpp +++ b/src/multicolvar/MultiColvarDensity.cpp @@ -104,7 +104,7 @@ class MultiColvarDensity : public gridtools::ActionWithGrid { void apply() override {} }; -PLUMED_REGISTER_ACTION(MultiColvarDensity,"MULTICOLVARDENS") +PLUMED_REGISTER_ACTION(MultiColvarDensity,MULTICOLVARDENS) void MultiColvarDensity::registerKeywords( Keywords& keys ) { gridtools::ActionWithGrid::registerKeywords( keys ); diff --git a/src/multicolvar/MultiColvarProduct.cpp b/src/multicolvar/MultiColvarProduct.cpp index 6968cc1106..17575b180c 100644 --- a/src/multicolvar/MultiColvarProduct.cpp +++ b/src/multicolvar/MultiColvarProduct.cpp @@ -49,7 +49,7 @@ class MultiColvarProduct : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(MultiColvarProduct,"MCOLV_PRODUCT") +PLUMED_REGISTER_ACTION(MultiColvarProduct,MCOLV_PRODUCT) void MultiColvarProduct::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/NumberOfLinks.cpp b/src/multicolvar/NumberOfLinks.cpp index f4ebd80c65..6d1ccb731e 100644 --- a/src/multicolvar/NumberOfLinks.cpp +++ b/src/multicolvar/NumberOfLinks.cpp @@ -83,7 +83,7 @@ class NumberOfLinks : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(NumberOfLinks,"NLINKS") +PLUMED_REGISTER_ACTION(NumberOfLinks,NLINKS) void NumberOfLinks::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/Torsions.cpp b/src/multicolvar/Torsions.cpp index cd565ea73b..83560e9d21 100644 --- a/src/multicolvar/Torsions.cpp +++ b/src/multicolvar/Torsions.cpp @@ -82,7 +82,7 @@ class Torsions : public MultiColvarBase { void retrieveDomain( std::string& min, std::string& max ) override { min="-pi"; max="pi"; } }; -PLUMED_REGISTER_ACTION(Torsions,"TORSIONS") +PLUMED_REGISTER_ACTION(Torsions,TORSIONS) void Torsions::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/VolumeAround.cpp b/src/multicolvar/VolumeAround.cpp index 6d8f7e1e09..a21da6b9a4 100644 --- a/src/multicolvar/VolumeAround.cpp +++ b/src/multicolvar/VolumeAround.cpp @@ -80,7 +80,7 @@ class VolumeAround : public ActionVolume { double calculateNumberInside( const Vector& cpos, Vector& derivatives, Tensor& vir, std::vector& refders ) const override; }; -PLUMED_REGISTER_ACTION(VolumeAround,"AROUND") +PLUMED_REGISTER_ACTION(VolumeAround,AROUND) void VolumeAround::registerKeywords( Keywords& keys ) { ActionVolume::registerKeywords( keys ); diff --git a/src/multicolvar/VolumeBetweenContours.cpp b/src/multicolvar/VolumeBetweenContours.cpp index d72e4c5937..b8dc72d201 100644 --- a/src/multicolvar/VolumeBetweenContours.cpp +++ b/src/multicolvar/VolumeBetweenContours.cpp @@ -75,7 +75,7 @@ class VolumeInEnvelope : public ActionVolume { double calculateNumberInside( const Vector& cpos, Vector& derivatives, Tensor& vir, std::vector& refders ) const override; }; -PLUMED_REGISTER_ACTION(VolumeInEnvelope,"INENVELOPE") +PLUMED_REGISTER_ACTION(VolumeInEnvelope,INENVELOPE) void VolumeInEnvelope::registerKeywords( Keywords& keys ) { ActionVolume::registerKeywords( keys ); keys.remove("SIGMA"); diff --git a/src/multicolvar/VolumeCavity.cpp b/src/multicolvar/VolumeCavity.cpp index c2d3eb1f1f..ea022eb3b2 100644 --- a/src/multicolvar/VolumeCavity.cpp +++ b/src/multicolvar/VolumeCavity.cpp @@ -124,7 +124,7 @@ class VolumeCavity : public ActionVolume { double calculateNumberInside( const Vector& cpos, Vector& derivatives, Tensor& vir, std::vector& refders ) const override; }; -PLUMED_REGISTER_ACTION(VolumeCavity,"CAVITY") +PLUMED_REGISTER_ACTION(VolumeCavity,CAVITY) void VolumeCavity::registerKeywords( Keywords& keys ) { ActionVolume::registerKeywords( keys ); diff --git a/src/multicolvar/VolumeInCylinder.cpp b/src/multicolvar/VolumeInCylinder.cpp index c37ed8fda2..6ae5ef87fa 100644 --- a/src/multicolvar/VolumeInCylinder.cpp +++ b/src/multicolvar/VolumeInCylinder.cpp @@ -84,7 +84,7 @@ class VolumeInCylinder : public ActionVolume { double calculateNumberInside( const Vector& cpos, Vector& derivatives, Tensor& vir, std::vector& refders ) const override; }; -PLUMED_REGISTER_ACTION(VolumeInCylinder,"INCYLINDER") +PLUMED_REGISTER_ACTION(VolumeInCylinder,INCYLINDER) void VolumeInCylinder::registerKeywords( Keywords& keys ) { ActionVolume::registerKeywords( keys ); diff --git a/src/multicolvar/VolumeInSphere.cpp b/src/multicolvar/VolumeInSphere.cpp index 9de9077fc2..0bcc76a6b2 100644 --- a/src/multicolvar/VolumeInSphere.cpp +++ b/src/multicolvar/VolumeInSphere.cpp @@ -80,7 +80,7 @@ class VolumeInSphere : public ActionVolume { double calculateNumberInside( const Vector& cpos, Vector& derivatives, Tensor& vir, std::vector& refders ) const override; }; -PLUMED_REGISTER_ACTION(VolumeInSphere,"INSPHERE") +PLUMED_REGISTER_ACTION(VolumeInSphere,INSPHERE) void VolumeInSphere::registerKeywords( Keywords& keys ) { ActionVolume::registerKeywords( keys ); diff --git a/src/multicolvar/VolumeTetrapore.cpp b/src/multicolvar/VolumeTetrapore.cpp index ee66d158dd..41bec01366 100644 --- a/src/multicolvar/VolumeTetrapore.cpp +++ b/src/multicolvar/VolumeTetrapore.cpp @@ -132,7 +132,7 @@ class VolumeTetrapore : public ActionVolume { double calculateNumberInside( const Vector& cpos, Vector& derivatives, Tensor& vir, std::vector& refders ) const override; }; -PLUMED_REGISTER_ACTION(VolumeTetrapore,"TETRAHEDRALPORE") +PLUMED_REGISTER_ACTION(VolumeTetrapore,TETRAHEDRALPORE) void VolumeTetrapore::registerKeywords( Keywords& keys ) { ActionVolume::registerKeywords( keys ); diff --git a/src/multicolvar/XAngle.cpp b/src/multicolvar/XAngle.cpp index e50a90b227..1296c3adc3 100644 --- a/src/multicolvar/XAngle.cpp +++ b/src/multicolvar/XAngle.cpp @@ -96,9 +96,9 @@ class XAngles : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(XAngles,"XANGLES") -PLUMED_REGISTER_ACTION(XAngles,"YANGLES") -PLUMED_REGISTER_ACTION(XAngles,"ZANGLES") +PLUMED_REGISTER_ACTION(XAngles,XANGLES) +PLUMED_REGISTER_ACTION(XAngles,YANGLES) +PLUMED_REGISTER_ACTION(XAngles,ZANGLES) void XAngles::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/XDistances.cpp b/src/multicolvar/XDistances.cpp index a60347eef4..1f0cd56cc5 100644 --- a/src/multicolvar/XDistances.cpp +++ b/src/multicolvar/XDistances.cpp @@ -182,9 +182,9 @@ class XDistances : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(XDistances,"XDISTANCES") -PLUMED_REGISTER_ACTION(XDistances,"YDISTANCES") -PLUMED_REGISTER_ACTION(XDistances,"ZDISTANCES") +PLUMED_REGISTER_ACTION(XDistances,XDISTANCES) +PLUMED_REGISTER_ACTION(XDistances,YDISTANCES) +PLUMED_REGISTER_ACTION(XDistances,ZDISTANCES) void XDistances::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/XYDistances.cpp b/src/multicolvar/XYDistances.cpp index a01d002bab..3111f88816 100644 --- a/src/multicolvar/XYDistances.cpp +++ b/src/multicolvar/XYDistances.cpp @@ -107,9 +107,9 @@ class XYDistances : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(XYDistances,"XYDISTANCES") -PLUMED_REGISTER_ACTION(XYDistances,"XZDISTANCES") -PLUMED_REGISTER_ACTION(XYDistances,"YZDISTANCES") +PLUMED_REGISTER_ACTION(XYDistances,XYDISTANCES) +PLUMED_REGISTER_ACTION(XYDistances,XZDISTANCES) +PLUMED_REGISTER_ACTION(XYDistances,YZDISTANCES) void XYDistances::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/XYTorsion.cpp b/src/multicolvar/XYTorsion.cpp index 0d1d45c2d8..137a9b59fb 100644 --- a/src/multicolvar/XYTorsion.cpp +++ b/src/multicolvar/XYTorsion.cpp @@ -146,12 +146,12 @@ class XYTorsion : public MultiColvarBase { void retrieveDomain( std::string& min, std::string& max) override { min="-pi"; max="pi"; } }; -PLUMED_REGISTER_ACTION(XYTorsion,"XYTORSIONS") -PLUMED_REGISTER_ACTION(XYTorsion,"XZTORSIONS") -PLUMED_REGISTER_ACTION(XYTorsion,"YXTORSIONS") -PLUMED_REGISTER_ACTION(XYTorsion,"YZTORSIONS") -PLUMED_REGISTER_ACTION(XYTorsion,"ZXTORSIONS") -PLUMED_REGISTER_ACTION(XYTorsion,"ZYTORSIONS") +PLUMED_REGISTER_ACTION(XYTorsion,XYTORSIONS) +PLUMED_REGISTER_ACTION(XYTorsion,XZTORSIONS) +PLUMED_REGISTER_ACTION(XYTorsion,YXTORSIONS) +PLUMED_REGISTER_ACTION(XYTorsion,YZTORSIONS) +PLUMED_REGISTER_ACTION(XYTorsion,ZXTORSIONS) +PLUMED_REGISTER_ACTION(XYTorsion,ZYTORSIONS) void XYTorsion::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/opes/ECVcustom.cpp b/src/opes/ECVcustom.cpp index cde45524d9..3262d0d5e1 100644 --- a/src/opes/ECVcustom.cpp +++ b/src/opes/ECVcustom.cpp @@ -82,7 +82,7 @@ class ECVcustom : void initECVs_restart(const std::vector&) override; }; -PLUMED_REGISTER_ACTION(ECVcustom,"ECV_CUSTOM") +PLUMED_REGISTER_ACTION(ECVcustom,ECV_CUSTOM) void ECVcustom::registerKeywords(Keywords& keys) { diff --git a/src/opes/ECVlinear.cpp b/src/opes/ECVlinear.cpp index 6af3f6ea9b..8546d9d5de 100644 --- a/src/opes/ECVlinear.cpp +++ b/src/opes/ECVlinear.cpp @@ -92,7 +92,7 @@ class ECVlinear : void initECVs_restart(const std::vector&) override; }; -PLUMED_REGISTER_ACTION(ECVlinear,"ECV_LINEAR") +PLUMED_REGISTER_ACTION(ECVlinear,ECV_LINEAR) void ECVlinear::registerKeywords(Keywords& keys) { diff --git a/src/opes/ECVmultiThermal.cpp b/src/opes/ECVmultiThermal.cpp index df19c5ca0b..4121d32c42 100644 --- a/src/opes/ECVmultiThermal.cpp +++ b/src/opes/ECVmultiThermal.cpp @@ -100,7 +100,7 @@ class ECVmultiCanonical : void initECVs_restart(const std::vector&) override; }; -PLUMED_REGISTER_ACTION(ECVmultiCanonical,"ECV_MULTITHERMAL") +PLUMED_REGISTER_ACTION(ECVmultiCanonical,ECV_MULTITHERMAL) void ECVmultiCanonical::registerKeywords(Keywords& keys) { diff --git a/src/opes/ECVmultiThermalBaric.cpp b/src/opes/ECVmultiThermalBaric.cpp index 17b3d07e31..0d3d508817 100644 --- a/src/opes/ECVmultiThermalBaric.cpp +++ b/src/opes/ECVmultiThermalBaric.cpp @@ -107,7 +107,7 @@ class ECVmultiThermalBaric : void initECVs_restart(const std::vector&) override; }; -PLUMED_REGISTER_ACTION(ECVmultiThermalBaric,"ECV_MULTITHERMAL_MULTIBARIC") +PLUMED_REGISTER_ACTION(ECVmultiThermalBaric,ECV_MULTITHERMAL_MULTIBARIC) void ECVmultiThermalBaric::registerKeywords(Keywords& keys) { diff --git a/src/opes/ECVumbrellasFile.cpp b/src/opes/ECVumbrellasFile.cpp index 6f1342bdd4..0bfc2d4ad8 100644 --- a/src/opes/ECVumbrellasFile.cpp +++ b/src/opes/ECVumbrellasFile.cpp @@ -93,7 +93,7 @@ class ECVumbrellasFile : void initECVs_restart(const std::vector&) override; }; -PLUMED_REGISTER_ACTION(ECVumbrellasFile,"ECV_UMBRELLAS_FILE") +PLUMED_REGISTER_ACTION(ECVumbrellasFile,ECV_UMBRELLAS_FILE) void ECVumbrellasFile::registerKeywords(Keywords& keys) { diff --git a/src/opes/ECVumbrellasLine.cpp b/src/opes/ECVumbrellasLine.cpp index 0ab817422f..7bca8d9dac 100644 --- a/src/opes/ECVumbrellasLine.cpp +++ b/src/opes/ECVumbrellasLine.cpp @@ -94,7 +94,7 @@ class ECVumbrellasLine : void initECVs_restart(const std::vector&) override; }; -PLUMED_REGISTER_ACTION(ECVumbrellasLine,"ECV_UMBRELLAS_LINE") +PLUMED_REGISTER_ACTION(ECVumbrellasLine,ECV_UMBRELLAS_LINE) void ECVumbrellasLine::registerKeywords(Keywords& keys) { diff --git a/src/opes/OPESexpanded.cpp b/src/opes/OPESexpanded.cpp index 53ccd8b4f9..8d9e0609b2 100644 --- a/src/opes/OPESexpanded.cpp +++ b/src/opes/OPESexpanded.cpp @@ -176,7 +176,7 @@ class OPESexpanded : public bias::Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(OPESexpanded,"OPES_EXPANDED") +PLUMED_REGISTER_ACTION(OPESexpanded,OPES_EXPANDED) void OPESexpanded::registerKeywords(Keywords& keys) { diff --git a/src/opes/OPESmetad.cpp b/src/opes/OPESmetad.cpp index 570642fe0b..74cc769b69 100644 --- a/src/opes/OPESmetad.cpp +++ b/src/opes/OPESmetad.cpp @@ -253,7 +253,7 @@ class OPESmetad : public bias::Bias { struct convergence { static const bool explore=false; }; typedef OPESmetad OPESmetad_c; -PLUMED_REGISTER_ACTION(OPESmetad_c,"OPES_METAD") +PLUMED_REGISTER_ACTION(OPESmetad_c,OPES_METAD) //OPES_METAD_EXPLORE is very similar from the point of view of the code, //but conceptually it is better to make it a separate BIAS action @@ -297,7 +297,7 @@ PRINT STRIDE=100 FILE=COLVAR ARG=cv,opes.* struct exploration { static const bool explore=true; }; typedef OPESmetad OPESmetad_e; -PLUMED_REGISTER_ACTION(OPESmetad_e,"OPES_METAD_EXPLORE") +PLUMED_REGISTER_ACTION(OPESmetad_e,OPES_METAD_EXPLORE) template void OPESmetad::registerKeywords(Keywords& keys) diff --git a/src/pamm/HBPammHydrogens.cpp b/src/pamm/HBPammHydrogens.cpp index e4364308de..03f53f1fff 100644 --- a/src/pamm/HBPammHydrogens.cpp +++ b/src/pamm/HBPammHydrogens.cpp @@ -57,7 +57,7 @@ class HBPammHydrogens : public multicolvar::MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(HBPammHydrogens,"HBPAMM_SH") +PLUMED_REGISTER_ACTION(HBPammHydrogens,HBPAMM_SH) void HBPammHydrogens::registerKeywords( Keywords& keys ) { multicolvar::MultiColvarBase::registerKeywords( keys ); diff --git a/src/pamm/HBPammMatrix.cpp b/src/pamm/HBPammMatrix.cpp index 2ddf872727..04c5036381 100644 --- a/src/pamm/HBPammMatrix.cpp +++ b/src/pamm/HBPammMatrix.cpp @@ -58,7 +58,7 @@ class HBPammMatrix : public adjmat::AdjacencyMatrixBase { bool checkForConnection( const std::vector& myvals ) const { return !(myvals[1]>epsilon); } }; -PLUMED_REGISTER_ACTION(HBPammMatrix,"HBPAMM_MATRIX") +PLUMED_REGISTER_ACTION(HBPammMatrix,HBPAMM_MATRIX) void HBPammMatrix::registerKeywords( Keywords& keys ) { adjmat::AdjacencyMatrixBase::registerKeywords( keys ); diff --git a/src/pamm/PAMM.cpp b/src/pamm/PAMM.cpp index a699c11e53..3ed1b30a1c 100644 --- a/src/pamm/PAMM.cpp +++ b/src/pamm/PAMM.cpp @@ -129,7 +129,7 @@ class PAMM : public multicolvar::MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(PAMM,"PAMM") +PLUMED_REGISTER_ACTION(PAMM,PAMM) void PAMM::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/piv/PIV.cpp b/src/piv/PIV.cpp index 8476f201e9..b4a3855918 100644 --- a/src/piv/PIV.cpp +++ b/src/piv/PIV.cpp @@ -231,7 +231,7 @@ class PIV : public Colvar void checkFieldsAllowed() {} }; -PLUMED_REGISTER_ACTION(PIV,"PIV") +PLUMED_REGISTER_ACTION(PIV,PIV) void PIV::registerKeywords( Keywords& keys ) { diff --git a/src/pytorch/PytorchModel.cpp b/src/pytorch/PytorchModel.cpp index 2245ffffe3..bd9da1b18a 100644 --- a/src/pytorch/PytorchModel.cpp +++ b/src/pytorch/PytorchModel.cpp @@ -77,7 +77,7 @@ class PytorchModel : std::vector tensor_to_vector(const torch::Tensor& x); }; -PLUMED_REGISTER_ACTION(PytorchModel,"PYTORCH_MODEL") +PLUMED_REGISTER_ACTION(PytorchModel,PYTORCH_MODEL) void PytorchModel::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/s2cm/S2ContactModel.cpp b/src/s2cm/S2ContactModel.cpp index 984653d2c5..e6b8829c85 100644 --- a/src/s2cm/S2ContactModel.cpp +++ b/src/s2cm/S2ContactModel.cpp @@ -78,7 +78,7 @@ class S2ContactModel : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(S2ContactModel,"S2CM") +PLUMED_REGISTER_ACTION(S2ContactModel,S2CM) void S2ContactModel::registerKeywords( Keywords& keys ) { Colvar::registerKeywords(keys); diff --git a/src/sasa/sasa_HASEL.cpp b/src/sasa/sasa_HASEL.cpp index 3d421f9b08..a0f63a31c7 100644 --- a/src/sasa/sasa_HASEL.cpp +++ b/src/sasa/sasa_HASEL.cpp @@ -162,7 +162,7 @@ class SASA_HASEL : public Colvar { virtual void calculate(); }; -PLUMED_REGISTER_ACTION(SASA_HASEL,"SASA_HASEL") +PLUMED_REGISTER_ACTION(SASA_HASEL,SASA_HASEL) void SASA_HASEL::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/sasa/sasa_LCPO.cpp b/src/sasa/sasa_LCPO.cpp index 0d5bf5d08c..5ddda48023 100755 --- a/src/sasa/sasa_LCPO.cpp +++ b/src/sasa/sasa_LCPO.cpp @@ -160,7 +160,7 @@ class SASA_LCPO : public Colvar { virtual void calculate(); }; -PLUMED_REGISTER_ACTION(SASA_LCPO,"SASA_LCPO") +PLUMED_REGISTER_ACTION(SASA_LCPO,SASA_LCPO) void SASA_LCPO::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/secondarystructure/AlphaRMSD.cpp b/src/secondarystructure/AlphaRMSD.cpp index eff82fb2fa..87092f4703 100644 --- a/src/secondarystructure/AlphaRMSD.cpp +++ b/src/secondarystructure/AlphaRMSD.cpp @@ -91,7 +91,7 @@ class AlphaRMSD : public SecondaryStructureRMSD { explicit AlphaRMSD(const ActionOptions&); }; -PLUMED_REGISTER_ACTION(AlphaRMSD,"ALPHARMSD") +PLUMED_REGISTER_ACTION(AlphaRMSD,ALPHARMSD) void AlphaRMSD::registerKeywords( Keywords& keys ) { SecondaryStructureRMSD::registerKeywords( keys ); diff --git a/src/secondarystructure/AntibetaRMSD.cpp b/src/secondarystructure/AntibetaRMSD.cpp index c06abc7e3c..ddbeea391f 100644 --- a/src/secondarystructure/AntibetaRMSD.cpp +++ b/src/secondarystructure/AntibetaRMSD.cpp @@ -92,7 +92,7 @@ class AntibetaRMSD : public SecondaryStructureRMSD { explicit AntibetaRMSD(const ActionOptions&); }; -PLUMED_REGISTER_ACTION(AntibetaRMSD,"ANTIBETARMSD") +PLUMED_REGISTER_ACTION(AntibetaRMSD,ANTIBETARMSD) void AntibetaRMSD::registerKeywords( Keywords& keys ) { SecondaryStructureRMSD::registerKeywords( keys ); diff --git a/src/secondarystructure/ParabetaRMSD.cpp b/src/secondarystructure/ParabetaRMSD.cpp index 9e2e06ea52..6eeae22b5a 100644 --- a/src/secondarystructure/ParabetaRMSD.cpp +++ b/src/secondarystructure/ParabetaRMSD.cpp @@ -93,7 +93,7 @@ class ParabetaRMSD : public SecondaryStructureRMSD { explicit ParabetaRMSD(const ActionOptions&); }; -PLUMED_REGISTER_ACTION(ParabetaRMSD,"PARABETARMSD") +PLUMED_REGISTER_ACTION(ParabetaRMSD,PARABETARMSD) void ParabetaRMSD::registerKeywords( Keywords& keys ) { SecondaryStructureRMSD::registerKeywords( keys ); diff --git a/src/setup/Load.cpp b/src/setup/Load.cpp index 03283662e5..d2aedca196 100644 --- a/src/setup/Load.cpp +++ b/src/setup/Load.cpp @@ -101,7 +101,7 @@ class Load : explicit Load(const ActionOptions&ao); }; -PLUMED_REGISTER_ACTION(Load,"LOAD") +PLUMED_REGISTER_ACTION(Load,LOAD) void Load::registerKeywords( Keywords& keys ) { ActionSetup::registerKeywords(keys); diff --git a/src/setup/Restart.cpp b/src/setup/Restart.cpp index 560dca57d2..8ef73a1e2c 100644 --- a/src/setup/Restart.cpp +++ b/src/setup/Restart.cpp @@ -95,7 +95,7 @@ class Restart : explicit Restart(const ActionOptions&ao); }; -PLUMED_REGISTER_ACTION(Restart,"RESTART") +PLUMED_REGISTER_ACTION(Restart,RESTART) void Restart::registerKeywords( Keywords& keys ) { ActionSetup::registerKeywords(keys); diff --git a/src/setup/Units.cpp b/src/setup/Units.cpp index 8d42aee19e..00d223cfe3 100644 --- a/src/setup/Units.cpp +++ b/src/setup/Units.cpp @@ -95,7 +95,7 @@ class Units : explicit Units(const ActionOptions&ao); }; -PLUMED_REGISTER_ACTION(Units,"UNITS") +PLUMED_REGISTER_ACTION(Units,UNITS) void Units::registerKeywords( Keywords& keys ) { ActionSetup::registerKeywords(keys); diff --git a/src/vatom/Center.cpp b/src/vatom/Center.cpp index 461f92eb66..e3cb6fbc52 100644 --- a/src/vatom/Center.cpp +++ b/src/vatom/Center.cpp @@ -136,8 +136,8 @@ class Center: static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Center,"CENTER") -PLUMED_REGISTER_ACTION(Center,"COM") +PLUMED_REGISTER_ACTION(Center,CENTER) +PLUMED_REGISTER_ACTION(Center,COM) void Center::registerKeywords(Keywords& keys) { ActionWithVirtualAtom::registerKeywords(keys); diff --git a/src/vatom/FixedAtom.cpp b/src/vatom/FixedAtom.cpp index f97ebe3cd7..7aaaf37d0c 100644 --- a/src/vatom/FixedAtom.cpp +++ b/src/vatom/FixedAtom.cpp @@ -94,7 +94,7 @@ class FixedAtom: static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(FixedAtom,"FIXEDATOM") +PLUMED_REGISTER_ACTION(FixedAtom,FIXEDATOM) void FixedAtom::registerKeywords(Keywords& keys) { ActionWithVirtualAtom::registerKeywords(keys); diff --git a/src/vatom/Ghost.cpp b/src/vatom/Ghost.cpp index d5a9252e0a..3cf903019e 100644 --- a/src/vatom/Ghost.cpp +++ b/src/vatom/Ghost.cpp @@ -59,7 +59,7 @@ class Ghost: static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Ghost,"GHOST") +PLUMED_REGISTER_ACTION(Ghost,GHOST) void Ghost::registerKeywords(Keywords& keys) { ActionWithVirtualAtom::registerKeywords(keys); diff --git a/src/ves/BF_Chebyshev.cpp b/src/ves/BF_Chebyshev.cpp index c520969b9d..2f7f238cf9 100644 --- a/src/ves/BF_Chebyshev.cpp +++ b/src/ves/BF_Chebyshev.cpp @@ -96,7 +96,7 @@ class BF_Chebyshev : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Chebyshev,"BF_CHEBYSHEV") +PLUMED_REGISTER_ACTION(BF_Chebyshev,BF_CHEBYSHEV) void BF_Chebyshev::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Combined.cpp b/src/ves/BF_Combined.cpp index 450acd8af3..3b18a38308 100644 --- a/src/ves/BF_Combined.cpp +++ b/src/ves/BF_Combined.cpp @@ -74,7 +74,7 @@ class BF_Combined : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Combined,"BF_COMBINED") +PLUMED_REGISTER_ACTION(BF_Combined,BF_COMBINED) void BF_Combined::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Cosine.cpp b/src/ves/BF_Cosine.cpp index f7e15b547d..bc25c0b99a 100644 --- a/src/ves/BF_Cosine.cpp +++ b/src/ves/BF_Cosine.cpp @@ -91,7 +91,7 @@ class BF_Cosine : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Cosine,"BF_COSINE") +PLUMED_REGISTER_ACTION(BF_Cosine,BF_COSINE) void BF_Cosine::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_CubicBsplines.cpp b/src/ves/BF_CubicBsplines.cpp index 669b9e886c..b87a84fe09 100644 --- a/src/ves/BF_CubicBsplines.cpp +++ b/src/ves/BF_CubicBsplines.cpp @@ -96,7 +96,7 @@ class BF_CubicBsplines : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_CubicBsplines,"BF_CUBIC_B_SPLINES") +PLUMED_REGISTER_ACTION(BF_CubicBsplines,BF_CUBIC_B_SPLINES) // See DOI 10.1007/s10614-007-9092-4 for more information; diff --git a/src/ves/BF_Custom.cpp b/src/ves/BF_Custom.cpp index 627736c728..8c976bf6b3 100644 --- a/src/ves/BF_Custom.cpp +++ b/src/ves/BF_Custom.cpp @@ -123,7 +123,7 @@ class BF_Custom : public BasisFunctions { void getAllValues(const double, double&, bool&, std::vector&, std::vector&) const override; }; -PLUMED_REGISTER_ACTION(BF_Custom,"BF_CUSTOM") +PLUMED_REGISTER_ACTION(BF_Custom,BF_CUSTOM) void BF_Custom::registerKeywords(Keywords& keys) { BasisFunctions::registerKeywords(keys); diff --git a/src/ves/BF_Fourier.cpp b/src/ves/BF_Fourier.cpp index 19ba0d1005..fdc4d86aad 100644 --- a/src/ves/BF_Fourier.cpp +++ b/src/ves/BF_Fourier.cpp @@ -92,7 +92,7 @@ class BF_Fourier : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Fourier,"BF_FOURIER") +PLUMED_REGISTER_ACTION(BF_Fourier,BF_FOURIER) void BF_Fourier::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Gaussians.cpp b/src/ves/BF_Gaussians.cpp index 2454d8c1ce..1bb395c756 100644 --- a/src/ves/BF_Gaussians.cpp +++ b/src/ves/BF_Gaussians.cpp @@ -111,7 +111,7 @@ class BF_Gaussians : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Gaussians,"BF_GAUSSIANS") +PLUMED_REGISTER_ACTION(BF_Gaussians,BF_GAUSSIANS) void BF_Gaussians::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Legendre.cpp b/src/ves/BF_Legendre.cpp index a17526f14c..31459dbdc1 100644 --- a/src/ves/BF_Legendre.cpp +++ b/src/ves/BF_Legendre.cpp @@ -103,7 +103,7 @@ class BF_Legendre : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Legendre,"BF_LEGENDRE") +PLUMED_REGISTER_ACTION(BF_Legendre,BF_LEGENDRE) void BF_Legendre::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Powers.cpp b/src/ves/BF_Powers.cpp index 2a7377d820..932c9f086a 100644 --- a/src/ves/BF_Powers.cpp +++ b/src/ves/BF_Powers.cpp @@ -87,7 +87,7 @@ class BF_Powers : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Powers,"BF_POWERS") +PLUMED_REGISTER_ACTION(BF_Powers,BF_POWERS) void BF_Powers::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Sine.cpp b/src/ves/BF_Sine.cpp index 93fd9c6557..4521801201 100644 --- a/src/ves/BF_Sine.cpp +++ b/src/ves/BF_Sine.cpp @@ -90,7 +90,7 @@ class BF_Sine : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Sine,"BF_SINE") +PLUMED_REGISTER_ACTION(BF_Sine,BF_SINE) void BF_Sine::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Wavelets.cpp b/src/ves/BF_Wavelets.cpp index cca0c79154..a45a121d29 100644 --- a/src/ves/BF_Wavelets.cpp +++ b/src/ves/BF_Wavelets.cpp @@ -215,7 +215,7 @@ class BF_Wavelets : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Wavelets,"BF_WAVELETS") +PLUMED_REGISTER_ACTION(BF_Wavelets,BF_WAVELETS) void BF_Wavelets::registerKeywords(Keywords& keys) { diff --git a/src/ves/Opt_Adam.cpp b/src/ves/Opt_Adam.cpp index 636704e9fa..58c02a99a9 100644 --- a/src/ves/Opt_Adam.cpp +++ b/src/ves/Opt_Adam.cpp @@ -72,7 +72,7 @@ inline CoeffsVector& Opt_Adam::VarmaxCoeffs(const unsigned int coeffs_id) const {return *varmax_coeffs_pntrs_[coeffs_id];} -PLUMED_REGISTER_ACTION(Opt_Adam,"OPT_ADAM") +PLUMED_REGISTER_ACTION(Opt_Adam,OPT_ADAM) void Opt_Adam::registerKeywords(Keywords& keys) { diff --git a/src/ves/Opt_BachAveragedSGD.cpp b/src/ves/Opt_BachAveragedSGD.cpp index 6813729417..ffddb51154 100644 --- a/src/ves/Opt_BachAveragedSGD.cpp +++ b/src/ves/Opt_BachAveragedSGD.cpp @@ -196,7 +196,7 @@ class Opt_BachAveragedSGD : public Optimizer { }; -PLUMED_REGISTER_ACTION(Opt_BachAveragedSGD,"OPT_AVERAGED_SGD") +PLUMED_REGISTER_ACTION(Opt_BachAveragedSGD,OPT_AVERAGED_SGD) void Opt_BachAveragedSGD::registerKeywords(Keywords& keys) { diff --git a/src/ves/Opt_Dummy.cpp b/src/ves/Opt_Dummy.cpp index 58fa53cd91..a78424e3ca 100644 --- a/src/ves/Opt_Dummy.cpp +++ b/src/ves/Opt_Dummy.cpp @@ -82,7 +82,7 @@ class Opt_Dummy : public Optimizer { }; -PLUMED_REGISTER_ACTION(Opt_Dummy,"OPT_DUMMY") +PLUMED_REGISTER_ACTION(Opt_Dummy,OPT_DUMMY) void Opt_Dummy::registerKeywords(Keywords& keys) { diff --git a/src/ves/Opt_RobbinsMonroSGD.cpp b/src/ves/Opt_RobbinsMonroSGD.cpp index e045b4d91a..7b0b7ad3ff 100644 --- a/src/ves/Opt_RobbinsMonroSGD.cpp +++ b/src/ves/Opt_RobbinsMonroSGD.cpp @@ -51,7 +51,7 @@ class Opt_RobbinsMonroSGD : public Optimizer { }; -PLUMED_REGISTER_ACTION(Opt_RobbinsMonroSGD,"OPT_ROBBINS_MONRO_SGD") +PLUMED_REGISTER_ACTION(Opt_RobbinsMonroSGD,OPT_ROBBINS_MONRO_SGD) void Opt_RobbinsMonroSGD::registerKeywords(Keywords& keys) { diff --git a/src/ves/OutputBasisFunctions.cpp b/src/ves/OutputBasisFunctions.cpp index 0a4231581d..4920f113b5 100644 --- a/src/ves/OutputBasisFunctions.cpp +++ b/src/ves/OutputBasisFunctions.cpp @@ -93,7 +93,7 @@ class OutputBasisFunctions : }; -PLUMED_REGISTER_ACTION(OutputBasisFunctions,"VES_OUTPUT_BASISFUNCTIONS") +PLUMED_REGISTER_ACTION(OutputBasisFunctions,VES_OUTPUT_BASISFUNCTIONS) void OutputBasisFunctions::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/ves/OutputFesBias.cpp b/src/ves/OutputFesBias.cpp index 8a4160b7e1..c0a2274991 100644 --- a/src/ves/OutputFesBias.cpp +++ b/src/ves/OutputFesBias.cpp @@ -107,7 +107,7 @@ class OutputFesBias : public Action { }; -PLUMED_REGISTER_ACTION(OutputFesBias,"VES_OUTPUT_FES") +PLUMED_REGISTER_ACTION(OutputFesBias,VES_OUTPUT_FES) void OutputFesBias::registerKeywords(Keywords& keys) { diff --git a/src/ves/OutputTargetDistribution.cpp b/src/ves/OutputTargetDistribution.cpp index 8fced37e8e..5ee6ba57f7 100644 --- a/src/ves/OutputTargetDistribution.cpp +++ b/src/ves/OutputTargetDistribution.cpp @@ -89,7 +89,7 @@ class OutputTargetDistribution : }; -PLUMED_REGISTER_ACTION(OutputTargetDistribution,"VES_OUTPUT_TARGET_DISTRIBUTION") +PLUMED_REGISTER_ACTION(OutputTargetDistribution,VES_OUTPUT_TARGET_DISTRIBUTION) void OutputTargetDistribution::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/ves/TD_Chi.cpp b/src/ves/TD_Chi.cpp index c28b515141..076e2edcb3 100644 --- a/src/ves/TD_Chi.cpp +++ b/src/ves/TD_Chi.cpp @@ -88,7 +88,7 @@ class TD_Chi: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_Chi,"TD_CHI") +PLUMED_REGISTER_ACTION(TD_Chi,TD_CHI) void TD_Chi::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_ChiSquared.cpp b/src/ves/TD_ChiSquared.cpp index 4f21902f1f..ff70dd9691 100644 --- a/src/ves/TD_ChiSquared.cpp +++ b/src/ves/TD_ChiSquared.cpp @@ -88,7 +88,7 @@ class TD_ChiSquared: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_ChiSquared,"TD_CHISQUARED") +PLUMED_REGISTER_ACTION(TD_ChiSquared,TD_CHISQUARED) void TD_ChiSquared::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_Custom.cpp b/src/ves/TD_Custom.cpp index d71d72193b..6f4ac58b77 100644 --- a/src/ves/TD_Custom.cpp +++ b/src/ves/TD_Custom.cpp @@ -143,7 +143,7 @@ class TD_Custom : public TargetDistribution { ~TD_Custom() {}; }; -PLUMED_REGISTER_ACTION(TD_Custom,"TD_CUSTOM") +PLUMED_REGISTER_ACTION(TD_Custom,TD_CUSTOM) void TD_Custom::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_Exponential.cpp b/src/ves/TD_Exponential.cpp index e3b1f5107a..6e47f990e6 100644 --- a/src/ves/TD_Exponential.cpp +++ b/src/ves/TD_Exponential.cpp @@ -81,7 +81,7 @@ class TD_Exponential: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_Exponential,"TD_EXPONENTIAL") +PLUMED_REGISTER_ACTION(TD_Exponential,TD_EXPONENTIAL) void TD_Exponential::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_ExponentiallyModifiedGaussian.cpp b/src/ves/TD_ExponentiallyModifiedGaussian.cpp index d6cdf455ca..f24bc04d17 100644 --- a/src/ves/TD_ExponentiallyModifiedGaussian.cpp +++ b/src/ves/TD_ExponentiallyModifiedGaussian.cpp @@ -116,7 +116,7 @@ class TD_ExponentiallyModifiedGaussian: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_ExponentiallyModifiedGaussian,"TD_EXPONENTIALLY_MODIFIED_GAUSSIAN") +PLUMED_REGISTER_ACTION(TD_ExponentiallyModifiedGaussian,TD_EXPONENTIALLY_MODIFIED_GAUSSIAN) void TD_ExponentiallyModifiedGaussian::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_Gaussian.cpp b/src/ves/TD_Gaussian.cpp index a54084d85d..ee909fae73 100644 --- a/src/ves/TD_Gaussian.cpp +++ b/src/ves/TD_Gaussian.cpp @@ -173,7 +173,7 @@ class TD_Gaussian: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_Gaussian,"TD_GAUSSIAN") +PLUMED_REGISTER_ACTION(TD_Gaussian,TD_GAUSSIAN) void TD_Gaussian::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_GeneralizedExtremeValue.cpp b/src/ves/TD_GeneralizedExtremeValue.cpp index db48ac4f65..f3939e9d2e 100644 --- a/src/ves/TD_GeneralizedExtremeValue.cpp +++ b/src/ves/TD_GeneralizedExtremeValue.cpp @@ -109,7 +109,7 @@ class TD_GeneralizedExtremeValue: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_GeneralizedExtremeValue,"TD_GENERALIZED_EXTREME_VALUE") +PLUMED_REGISTER_ACTION(TD_GeneralizedExtremeValue,TD_GENERALIZED_EXTREME_VALUE) void TD_GeneralizedExtremeValue::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_GeneralizedNormal.cpp b/src/ves/TD_GeneralizedNormal.cpp index 29925c27ab..4798c6eb88 100644 --- a/src/ves/TD_GeneralizedNormal.cpp +++ b/src/ves/TD_GeneralizedNormal.cpp @@ -111,7 +111,7 @@ class TD_GeneralizedNormal: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_GeneralizedNormal,"TD_GENERALIZED_NORMAL") +PLUMED_REGISTER_ACTION(TD_GeneralizedNormal,TD_GENERALIZED_NORMAL) void TD_GeneralizedNormal::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_Grid.cpp b/src/ves/TD_Grid.cpp index 82d73cf073..808feeeccb 100644 --- a/src/ves/TD_Grid.cpp +++ b/src/ves/TD_Grid.cpp @@ -114,7 +114,7 @@ class TD_Grid : public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_Grid,"TD_GRID") +PLUMED_REGISTER_ACTION(TD_Grid,TD_GRID) void TD_Grid::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_LinearCombination.cpp b/src/ves/TD_LinearCombination.cpp index 3ba559433f..18e81aafd8 100644 --- a/src/ves/TD_LinearCombination.cpp +++ b/src/ves/TD_LinearCombination.cpp @@ -148,7 +148,7 @@ class TD_LinearCombination: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_LinearCombination,"TD_LINEAR_COMBINATION") +PLUMED_REGISTER_ACTION(TD_LinearCombination,TD_LINEAR_COMBINATION) void TD_LinearCombination::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_Multicanonical.cpp b/src/ves/TD_Multicanonical.cpp index ec16e14daf..b232314fc1 100644 --- a/src/ves/TD_Multicanonical.cpp +++ b/src/ves/TD_Multicanonical.cpp @@ -152,7 +152,7 @@ class TD_Multicanonical: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_Multicanonical,"TD_MULTICANONICAL") +PLUMED_REGISTER_ACTION(TD_Multicanonical,TD_MULTICANONICAL) void TD_Multicanonical::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_MultithermalMultibaric.cpp b/src/ves/TD_MultithermalMultibaric.cpp index cd9ba0ffef..ed6c7d2e91 100644 --- a/src/ves/TD_MultithermalMultibaric.cpp +++ b/src/ves/TD_MultithermalMultibaric.cpp @@ -229,7 +229,7 @@ class TD_MultithermalMultibaric: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_MultithermalMultibaric,"TD_MULTITHERMAL_MULTIBARIC") +PLUMED_REGISTER_ACTION(TD_MultithermalMultibaric,TD_MULTITHERMAL_MULTIBARIC) void TD_MultithermalMultibaric::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_ProductCombination.cpp b/src/ves/TD_ProductCombination.cpp index 746a28d73c..8238276574 100644 --- a/src/ves/TD_ProductCombination.cpp +++ b/src/ves/TD_ProductCombination.cpp @@ -137,7 +137,7 @@ class TD_ProductCombination: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_ProductCombination,"TD_PRODUCT_COMBINATION") +PLUMED_REGISTER_ACTION(TD_ProductCombination,TD_PRODUCT_COMBINATION) void TD_ProductCombination::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_ProductDistribution.cpp b/src/ves/TD_ProductDistribution.cpp index 083538baa5..de8c76d51b 100644 --- a/src/ves/TD_ProductDistribution.cpp +++ b/src/ves/TD_ProductDistribution.cpp @@ -100,7 +100,7 @@ class TD_ProductDistribution: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_ProductDistribution,"TD_PRODUCT_DISTRIBUTION") +PLUMED_REGISTER_ACTION(TD_ProductDistribution,TD_PRODUCT_DISTRIBUTION) void TD_ProductDistribution::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_Uniform.cpp b/src/ves/TD_Uniform.cpp index 2a4fb8fe9c..fdd9b7d4d8 100644 --- a/src/ves/TD_Uniform.cpp +++ b/src/ves/TD_Uniform.cpp @@ -184,7 +184,7 @@ class TD_Uniform : public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_Uniform,"TD_UNIFORM") +PLUMED_REGISTER_ACTION(TD_Uniform,TD_UNIFORM) void TD_Uniform::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_VonMises.cpp b/src/ves/TD_VonMises.cpp index d14f2d890c..aa357ce92f 100644 --- a/src/ves/TD_VonMises.cpp +++ b/src/ves/TD_VonMises.cpp @@ -109,7 +109,7 @@ class TD_VonMises: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_VonMises,"TD_VONMISES") +PLUMED_REGISTER_ACTION(TD_VonMises,TD_VONMISES) void TD_VonMises::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_WellTempered.cpp b/src/ves/TD_WellTempered.cpp index 7d921b2830..8986d39501 100644 --- a/src/ves/TD_WellTempered.cpp +++ b/src/ves/TD_WellTempered.cpp @@ -110,7 +110,7 @@ class TD_WellTempered: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_WellTempered,"TD_WELLTEMPERED") +PLUMED_REGISTER_ACTION(TD_WellTempered,TD_WELLTEMPERED) void TD_WellTempered::registerKeywords(Keywords& keys) { diff --git a/src/ves/VesDeltaF.cpp b/src/ves/VesDeltaF.cpp index 3e756f24e4..6228c26a88 100644 --- a/src/ves/VesDeltaF.cpp +++ b/src/ves/VesDeltaF.cpp @@ -177,7 +177,7 @@ class VesDeltaF : public bias::Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(VesDeltaF,"VES_DELTA_F") +PLUMED_REGISTER_ACTION(VesDeltaF,VES_DELTA_F) void VesDeltaF::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/ves/VesLinearExpansion.cpp b/src/ves/VesLinearExpansion.cpp index 2d237ad6f0..11a80e7123 100644 --- a/src/ves/VesLinearExpansion.cpp +++ b/src/ves/VesLinearExpansion.cpp @@ -317,7 +317,7 @@ class VesLinearExpansion : public VesBias { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(VesLinearExpansion,"VES_LINEAR_EXPANSION") +PLUMED_REGISTER_ACTION(VesLinearExpansion,VES_LINEAR_EXPANSION) void VesLinearExpansion::registerKeywords( Keywords& keys ) { VesBias::registerKeywords(keys); From 91b528008b11da9961ef04c2a41fe42e2326af1c Mon Sep 17 00:00:00 2001 From: Daniele Rapetti Date: Fri, 12 May 2023 12:39:10 +0200 Subject: [PATCH 2/9] astyled and polished the class --- src/core/ActionRegister.cpp | 1 + src/core/ActionRegister.h | 76 +++++++++++-------------------------- 2 files changed, 24 insertions(+), 53 deletions(-) diff --git a/src/core/ActionRegister.cpp b/src/core/ActionRegister.cpp index 0eb01fdbf1..b2823b2453 100644 --- a/src/core/ActionRegister.cpp +++ b/src/core/ActionRegister.cpp @@ -49,6 +49,7 @@ void ActionRegister::remove(creator_pointer f) { } void ActionRegister::add(std::string key,creator_pointer f,keywords_pointer k) { + // key is no more a const string&, so it can receive string_view and const char* // this force each action to be registered as an uppercase string if ( std::any_of( std::begin( key ), std::end( key ), []( char c ) { return ( std::islower( c ) ); } ) ) plumed_error() << "Action: " + key + " cannot be registered, use only UPPERCASE characters"; if(m.count(key)) { diff --git a/src/core/ActionRegister.h b/src/core/ActionRegister.h index e7147d9e07..5cf3e70d27 100644 --- a/src/core/ActionRegister.h +++ b/src/core/ActionRegister.h @@ -27,7 +27,6 @@ #include #include #include "tools/Keywords.h" -#include "tools/Tools.h" #include namespace PLMD { @@ -63,14 +62,6 @@ class ActionRegister { /// \param cp A pointer to a function which creates an object of that class /// \param kp A pointer to a function which returns the allowed keywords void add(std::string key,creator_pointer cp,keywords_pointer kp); - template - void add(const std::string& key){ - this->add(key, - [](const PLMD::ActionOptions&ao)->std::unique_ptr { - return PLMD::Tools::make_unique(ao); - }, - PLMDActionType::registerKeywords); - } /// Verify if a directive is present in the register bool check(const std::string & action); /// Create an Action of the type indicated in the options @@ -103,59 +94,38 @@ std::ostream & operator<<(std::ostream &log,const ActionRegister&ar); #define PLUMED_CONCATENATE(s1, s2) PLUMED_CONCATENATE_DIRECT(s1, s2) #define PLUMED_UNIQUENAME(str) PLUMED_CONCATENATE(str, __LINE__) -/// Shortcut for Action registration -/// \relates PLMD::ActionRegister -/// For easier registration, this file also provides a macro PLUMED_REGISTER_ACTION. -/// \param classname the name of the class to be registered -/// \param directive a string containing the corresponding directive -/// This macro should be used in the .cpp file of the corresponding class -/** -#define PLUMED_REGISTER_ACTION(classname,directive) \ - namespace { class PLUMED_UNIQUENAME(classname##RegisterMe){ \ - static std::unique_ptr create(const PLMD::ActionOptions&ao){return std::make_unique(ao);} \ - public: \ - PLUMED_UNIQUENAME(classname##RegisterMe)(){PLMD::actionRegister().add(directive,create,classname::registerKeywords);} \ - ~PLUMED_UNIQUENAME(classname##RegisterMe)(){PLMD::actionRegister().remove(create);} \ - } PLUMED_UNIQUENAME(classname##RegisterMe); } -* / -namespace PLMD{ -//namespace actionSetup{ -template -void myregisterAction(const std::string& key){ - PLMD::actionRegister().add(key, - [](const PLMD::ActionOptions&ao)->std::unique_ptr { - return PLMD::Tools::make_unique(ao); - }, - ActionType::registerKeywords); -} -//} -}*/ -/* -#define PLUMED_REGISTER_ACTION(classname,directive) \ - template<>\ - ::PLMD::PLMD::actionRegister()(directive); -*/ + //in C++20 you we'll make this a concept a change typename in plumedRegisterer template inline constexpr bool isActionType = std::is_base_of<::PLMD::Action, T>::value; //concept ActionType = std::is_base_of<::PLMD::Action, T>::value; //and the next template will be template + +///Registerer for actions template -class plumedRegisterer{ - static ::std::unique_ptr<::PLMD::Action> create(const ::PLMD::ActionOptions&ao){ - return ::PLMD::Tools::make_unique(ao); - } - public: - plumedRegisterer(std::string directive){ - static_assert(isActionType,"plumedRegisterer accepts only class that inherit from Action"); - ::PLMD::actionRegister().add(directive,create,ActionClass::registerKeywords); - } - ~plumedRegisterer(){::PLMD::actionRegister().remove(create);} +class plumedRegisterer { + static ::std::unique_ptr<::PLMD::Action> create(const ::PLMD::ActionOptions&ao) { + return ::std::make_unique(ao); + } +public: + ///On construction will register the ActionClass with the wanted key + plumedRegisterer(std::string_view key) { + static_assert(isActionType,"plumedRegisterer accepts only class that inherit from Action"); + ::PLMD::actionRegister().add(key,create,ActionClass::registerKeywords); + } + ///On destruction will deregister the ActionClass with the wanted key (useful when you unload a shared object) + ~plumedRegisterer() {::PLMD::actionRegister().remove(create);} }; -#define PLUMED_REGISTER_ACTION(classname,directive) plumedRegisterer directive##Registerer(#directive); - +/// Shortcut for Action registration +/// \relates PLMD::ActionRegister +/// For easier registration, this file also provides a macro PLUMED_REGISTER_ACTION. +/// \param classname the name of the class to be registered +/// \param directive a name of the corresponding directive, do not use a string, the macro will convert it to a string +/// This macro should be used in the .cpp file of the corresponding class +#define PLUMED_REGISTER_ACTION(classname,directive) plumedRegisterer directive##Registerer(#directive); + #endif From 5c5ba2f72ee8c7fde2a81b436401ad277544beb2 Mon Sep 17 00:00:00 2001 From: Daniele Rapetti Date: Fri, 12 May 2023 14:54:40 +0200 Subject: [PATCH 3/9] small aestetic changes --- src/config/asd | 9 -------- src/core/ActionRegister.cpp | 1 - src/core/ActionRegister.h | 44 +++++++++++++++++-------------------- 3 files changed, 20 insertions(+), 34 deletions(-) delete mode 100644 src/config/asd diff --git a/src/config/asd b/src/config/asd deleted file mode 100644 index 5a4143719b..0000000000 --- a/src/config/asd +++ /dev/null @@ -1,9 +0,0 @@ -#ifndef __PLUMED_config_version_h -#define __PLUMED_config_version_h -#define PLUMED_VERSION_SHORT "2.10" -#define PLUMED_VERSION_LONG "2.10.0-dev" -#define PLUMED_VERSION_GIT "23e754fd4-dirty" -#define PLUMED_VERSION_MAJOR 2 -#define PLUMED_VERSION_MINOR 10 -#define PLUMED_VERSION_PATCH 0 -#endif diff --git a/src/core/ActionRegister.cpp b/src/core/ActionRegister.cpp index b2823b2453..0eb01fdbf1 100644 --- a/src/core/ActionRegister.cpp +++ b/src/core/ActionRegister.cpp @@ -49,7 +49,6 @@ void ActionRegister::remove(creator_pointer f) { } void ActionRegister::add(std::string key,creator_pointer f,keywords_pointer k) { - // key is no more a const string&, so it can receive string_view and const char* // this force each action to be registered as an uppercase string if ( std::any_of( std::begin( key ), std::end( key ), []( char c ) { return ( std::islower( c ) ); } ) ) plumed_error() << "Action: " + key + " cannot be registered, use only UPPERCASE characters"; if(m.count(key)) { diff --git a/src/core/ActionRegister.h b/src/core/ActionRegister.h index 5cf3e70d27..4af07493f8 100644 --- a/src/core/ActionRegister.h +++ b/src/core/ActionRegister.h @@ -29,7 +29,7 @@ #include "tools/Keywords.h" #include -namespace PLMD { +namespace PLMD { //{ class Action; class ActionOptions; @@ -88,34 +88,30 @@ ActionRegister& actionRegister(); std::ostream & operator<<(std::ostream &log,const ActionRegister&ar); -} - -#define PLUMED_CONCATENATE_DIRECT(s1, s2) s1##s2 -#define PLUMED_CONCATENATE(s1, s2) PLUMED_CONCATENATE_DIRECT(s1, s2) -#define PLUMED_UNIQUENAME(str) PLUMED_CONCATENATE(str, __LINE__) - - -//in C++20 you we'll make this a concept a change typename in plumedRegisterer template -inline constexpr bool isActionType = std::is_base_of<::PLMD::Action, T>::value; +inline constexpr bool isActionType = std::is_base_of::value; +//in C++20 you we'll make this a concept +//template //concept ActionType = std::is_base_of<::PLMD::Action, T>::value; -//and the next template will be template +//so the template will be templateclass ActionRegistration{...} +//without the explicit need of the static assert - -///Registerer for actions +///Each instance of this specialized class represents an action that can be called +///with the specified directive. +///As soon it goes out of scope it will deregister the directive from ActionRegister template -class plumedRegisterer { - static ::std::unique_ptr<::PLMD::Action> create(const ::PLMD::ActionOptions&ao) { - return ::std::make_unique(ao); +class ActionRegistration { + static std::unique_ptr create(const ActionOptions&ao) { + return std::make_unique(ao); } public: - ///On construction will register the ActionClass with the wanted key - plumedRegisterer(std::string_view key) { - static_assert(isActionType,"plumedRegisterer accepts only class that inherit from Action"); - ::PLMD::actionRegister().add(key,create,ActionClass::registerKeywords); + ///On construction register the ActionClass with the wanted directive + ActionRegistration(std::string_view directive) { + static_assert(isActionType,"ActionRegistration accepts only class that inherit from Action"); + actionRegister().add(directive.data(),create,ActionClass::registerKeywords); } - ///On destruction will deregister the ActionClass with the wanted key (useful when you unload a shared object) - ~plumedRegisterer() {::PLMD::actionRegister().remove(create);} + ///On destruction deregister the ActionClass (useful when you unload a shared object) + ~ActionRegistration() {actionRegister().remove(create);} }; /// Shortcut for Action registration @@ -124,8 +120,8 @@ class plumedRegisterer { /// \param classname the name of the class to be registered /// \param directive a name of the corresponding directive, do not use a string, the macro will convert it to a string /// This macro should be used in the .cpp file of the corresponding class -#define PLUMED_REGISTER_ACTION(classname,directive) plumedRegisterer directive##Registerer(#directive); - +#define PLUMED_REGISTER_ACTION(classname,directive) ActionRegistration directive##Registerer(#directive); +} //PLMD /} #endif From 1a69fd0f91ff315a1f6b04b518204f8cb0f76200 Mon Sep 17 00:00:00 2001 From: Daniele Rapetti Date: Fri, 12 May 2023 16:25:45 +0200 Subject: [PATCH 4/9] starting to revert to quotes --- .gitignore | 2 ++ src/core/ActionRegister.h | 3 ++- 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/.gitignore b/.gitignore index e85ec29741..d2fa379d08 100644 --- a/.gitignore +++ b/.gitignore @@ -24,3 +24,5 @@ makefile.dep /config.* /autom4* /stamp-h +/build +/.vscode \ No newline at end of file diff --git a/src/core/ActionRegister.h b/src/core/ActionRegister.h index 4af07493f8..b1ff11c924 100644 --- a/src/core/ActionRegister.h +++ b/src/core/ActionRegister.h @@ -120,7 +120,8 @@ class ActionRegistration { /// \param classname the name of the class to be registered /// \param directive a name of the corresponding directive, do not use a string, the macro will convert it to a string /// This macro should be used in the .cpp file of the corresponding class -#define PLUMED_REGISTER_ACTION(classname,directive) ActionRegistration directive##Registerer(#directive); +#define PLUMED_REGISTER_ACTION(classname,directive) \ + namespace {ActionRegistration classname##Registerer##__LINE__(directive);} } //PLMD /} #endif From 3a14e0fb2327a7a44f6e9ac6753aa45fdedffef3 Mon Sep 17 00:00:00 2001 From: Daniele Rapetti Date: Fri, 12 May 2023 16:54:49 +0200 Subject: [PATCH 5/9] readded the quotes --- regtest/basic/rt15/Distance2.cpp | 2 +- src/adjmat/ClusterDiameter.cpp | 2 +- src/adjmat/ClusterDistribution.cpp | 2 +- src/adjmat/ClusterProperties.cpp | 2 +- src/adjmat/ClusterSize.cpp | 2 +- src/adjmat/ClusterWithSurface.cpp | 2 +- src/adjmat/ContactAlignedMatrix.cpp | 2 +- src/adjmat/ContactMatrix.cpp | 2 +- src/adjmat/DFSClustering.cpp | 2 +- src/adjmat/DumpGraph.cpp | 2 +- src/adjmat/HbondMatrix.cpp | 2 +- src/adjmat/MatrixColumnSums.cpp | 2 +- src/adjmat/MatrixRowSums.cpp | 2 +- src/adjmat/OutputCluster.cpp | 2 +- src/adjmat/SMACMatrix.cpp | 2 +- src/adjmat/Sprint.cpp | 2 +- src/adjmat/TopologyMatrix.cpp | 2 +- src/analysis/Average.cpp | 2 +- src/analysis/Committor.cpp | 2 +- src/analysis/EuclideanDissimilarityMatrix.cpp | 2 +- src/analysis/FarthestPointSampling.cpp | 2 +- src/analysis/Histogram.cpp | 2 +- src/analysis/LandmarkStaged.cpp | 2 +- src/analysis/OutputColvarFile.cpp | 2 +- src/analysis/OutputPDBFile.cpp | 2 +- src/analysis/PrintDissimilarityMatrix.cpp | 2 +- src/analysis/ReadAnalysisFrames.cpp | 2 +- src/analysis/ReadDissimilarityMatrix.cpp | 2 +- src/analysis/ReselectLandmarks.cpp | 2 +- src/analysis/SelectRandomFrames.cpp | 2 +- src/analysis/SelectWithStride.cpp | 2 +- src/analysis/WhamHistogram.cpp | 2 +- src/analysis/WhamWeights.cpp | 2 +- src/annfunc/ANN.cpp | 2 +- src/bias/ABMD.cpp | 2 +- src/bias/BiasValue.cpp | 2 +- src/bias/ExtendedLagrangian.cpp | 2 +- src/bias/External.cpp | 2 +- src/bias/LWalls.cpp | 2 +- src/bias/MaxEnt.cpp | 2 +- src/bias/MetaD.cpp | 2 +- src/bias/MovingRestraint.cpp | 2 +- src/bias/PBMetaD.cpp | 2 +- src/bias/Restraint.cpp | 2 +- src/bias/ReweightBias.cpp | 2 +- src/bias/ReweightMetad.cpp | 2 +- src/bias/ReweightTemperaturePressure.cpp | 2 +- src/bias/ReweightWham.cpp | 2 +- src/bias/UWalls.cpp | 2 +- src/colvar/Angle.cpp | 2 +- src/colvar/Cell.cpp | 2 +- src/colvar/Constant.cpp | 2 +- src/colvar/ContactMap.cpp | 2 +- src/colvar/Coordination.cpp | 2 +- src/colvar/DHEnergy.cpp | 2 +- src/colvar/DRMSD.cpp | 2 +- src/colvar/Dimer.cpp | 2 +- src/colvar/Dipole.cpp | 2 +- src/colvar/Distance.cpp | 2 +- src/colvar/EEFSolv.cpp | 2 +- src/colvar/ERMSD.cpp | 2 +- src/colvar/Energy.cpp | 2 +- src/colvar/ExtraCV.cpp | 2 +- src/colvar/Fake.cpp | 2 +- src/colvar/GHBFIX.cpp | 2 +- src/colvar/Gyration.cpp | 2 +- src/colvar/MultiRMSD.cpp | 2 +- src/colvar/PCARMSD.cpp | 2 +- src/colvar/PathMSD.cpp | 2 +- src/colvar/Position.cpp | 2 +- src/colvar/ProjectionOnAxis.cpp | 2 +- src/colvar/PropertyMap.cpp | 2 +- src/colvar/Puckering.cpp | 2 +- src/colvar/RMSD.cpp | 2 +- src/colvar/Template.cpp | 2 +- src/colvar/Torsion.cpp | 2 +- src/colvar/Volume.cpp | 2 +- src/core/ActionRegister.h | 9 ++++++--- src/crystallization/BondOrientation.cpp | 2 +- src/crystallization/EnvironmentSimilarity.cpp | 2 +- src/crystallization/Fccubic.cpp | 2 +- src/crystallization/Gradient.cpp | 2 +- src/crystallization/InterMolecularTorsions.cpp | 2 +- src/crystallization/MoleculeOrientation.cpp | 2 +- src/crystallization/MoleculePlane.cpp | 2 +- src/crystallization/PolymerAngles.cpp | 2 +- src/crystallization/Q3.cpp | 4 ++-- src/crystallization/Q4.cpp | 4 ++-- src/crystallization/Q6.cpp | 4 ++-- src/crystallization/SMAC.cpp | 2 +- src/crystallization/SimpleCubic.cpp | 2 +- src/crystallization/Tetrahedral.cpp | 2 +- src/dimred/ClassicalMultiDimensionalScaling.cpp | 2 +- src/dimred/OutputPCAProjections.cpp | 2 +- src/dimred/PCA.cpp | 2 +- src/dimred/ProjectNonLandmarkPoints.cpp | 2 +- src/dimred/SketchMap.cpp | 2 +- src/dimred/SketchMapConjGrad.cpp | 2 +- src/dimred/SketchMapPointwise.cpp | 2 +- src/dimred/SketchMapRead.cpp | 2 +- src/dimred/SketchMapSmacof.cpp | 2 +- src/dimred/SmacoffMDS.cpp | 2 +- src/drr/DynamicReferenceRestraining.cpp | 2 +- src/eds/EDS.cpp | 2 +- src/fisst/FISST.cpp | 2 +- src/function/Combine.cpp | 2 +- src/function/Custom.cpp | 4 ++-- src/function/Ensemble.cpp | 2 +- src/function/FuncPathGeneral.cpp | 2 +- src/function/FuncPathMSD.cpp | 2 +- src/function/FuncSumHills.cpp | 2 +- src/function/LocalEnsemble.cpp | 2 +- src/function/Piecewise.cpp | 2 +- src/function/Sort.cpp | 2 +- src/function/Stats.cpp | 2 +- src/function/Target.cpp | 2 +- src/funnel/FPS.cpp | 2 +- src/funnel/Funnel.cpp | 2 +- src/generic/Debug.cpp | 2 +- src/generic/DumpAtoms.cpp | 2 +- src/generic/DumpDerivatives.cpp | 2 +- src/generic/DumpForces.cpp | 2 +- src/generic/DumpMassCharge.cpp | 2 +- src/generic/DumpProjections.cpp | 2 +- src/generic/EffectiveEnergyDrift.cpp | 2 +- src/generic/EndPlumed.cpp | 2 +- src/generic/FitToTemplate.cpp | 2 +- src/generic/Flush.cpp | 2 +- src/generic/Group.cpp | 2 +- src/generic/Include.cpp | 2 +- src/generic/MolInfo.cpp | 2 +- src/generic/Plumed.cpp | 2 +- src/generic/Print.cpp | 2 +- src/generic/RandomExchanges.cpp | 2 +- src/generic/Read.cpp | 2 +- src/generic/ResetCell.cpp | 2 +- src/generic/Time.cpp | 2 +- src/generic/UpdateIf.cpp | 2 +- src/generic/WholeMolecules.cpp | 2 +- src/generic/WrapAround.cpp | 2 +- src/gridtools/ConvertToFES.cpp | 2 +- src/gridtools/DumpCube.cpp | 2 +- src/gridtools/DumpGrid.cpp | 2 +- src/gridtools/FindContour.cpp | 2 +- src/gridtools/FindContourSurface.cpp | 2 +- src/gridtools/FindSphericalContour.cpp | 2 +- src/gridtools/FourierTransform.cpp | 2 +- src/gridtools/GridToXYZ.cpp | 2 +- src/gridtools/IntegrateGrid.cpp | 2 +- src/gridtools/InterpolateGrid.cpp | 2 +- src/isdb/CS2Backbone.cpp | 2 +- src/isdb/Caliber.cpp | 2 +- src/isdb/EMMI.cpp | 2 +- src/isdb/FretEfficiency.cpp | 2 +- src/isdb/Jcoupling.cpp | 2 +- src/isdb/Metainference.cpp | 2 +- src/isdb/NOE.cpp | 2 +- src/isdb/PRE.cpp | 2 +- src/isdb/RDC.cpp | 4 ++-- src/isdb/Rescale.cpp | 2 +- src/isdb/SAXS.cpp | 4 ++-- src/isdb/Select.cpp | 2 +- src/isdb/Selector.cpp | 2 +- src/logmfd/LogMFD.cpp | 2 +- src/manyrestraints/LWalls.cpp | 2 +- src/manyrestraints/UWalls.cpp | 2 +- src/mapping/AdaptivePath.cpp | 2 +- src/mapping/PCAVars.cpp | 2 +- src/mapping/Path.cpp | 2 +- src/mapping/PropertyMap.cpp | 2 +- src/maze/Loss.cpp | 2 +- src/maze/Memetic.cpp | 2 +- src/maze/Optimizer_Bias.cpp | 2 +- src/maze/Random_Acceleration_MD.cpp | 2 +- src/maze/Random_Walk.cpp | 2 +- src/maze/Simulated_Annealing.cpp | 2 +- src/maze/Steered_MD.cpp | 2 +- src/membranefusion/FusionPoreExpansionP.cpp | 2 +- src/membranefusion/FusionPoreNucleationP.cpp | 2 +- src/membranefusion/MemFusionP.cpp | 2 +- src/multicolvar/AlphaBeta.cpp | 2 +- src/multicolvar/Angles.cpp | 2 +- src/multicolvar/Bridge.cpp | 2 +- src/multicolvar/CenterOfMultiColvar.cpp | 2 +- src/multicolvar/CoordinationNumbers.cpp | 2 +- src/multicolvar/Density.cpp | 2 +- src/multicolvar/DihedralCorrelation.cpp | 2 +- src/multicolvar/DistanceFromContour.cpp | 2 +- src/multicolvar/Distances.cpp | 2 +- src/multicolvar/DumpMultiColvar.cpp | 2 +- src/multicolvar/FilterBetween.cpp | 4 ++-- src/multicolvar/FilterLessThan.cpp | 4 ++-- src/multicolvar/FilterMoreThan.cpp | 4 ++-- src/multicolvar/InPlaneDistances.cpp | 2 +- src/multicolvar/LocalAverage.cpp | 2 +- src/multicolvar/MultiColvarCombine.cpp | 2 +- src/multicolvar/MultiColvarDensity.cpp | 2 +- src/multicolvar/MultiColvarProduct.cpp | 2 +- src/multicolvar/NumberOfLinks.cpp | 2 +- src/multicolvar/Torsions.cpp | 2 +- src/multicolvar/VolumeAround.cpp | 2 +- src/multicolvar/VolumeBetweenContours.cpp | 2 +- src/multicolvar/VolumeCavity.cpp | 2 +- src/multicolvar/VolumeInCylinder.cpp | 2 +- src/multicolvar/VolumeInSphere.cpp | 2 +- src/multicolvar/VolumeTetrapore.cpp | 2 +- src/multicolvar/XAngle.cpp | 6 +++--- src/multicolvar/XDistances.cpp | 6 +++--- src/multicolvar/XYDistances.cpp | 6 +++--- src/multicolvar/XYTorsion.cpp | 12 ++++++------ src/opes/ECVcustom.cpp | 2 +- src/opes/ECVlinear.cpp | 2 +- src/opes/ECVmultiThermal.cpp | 2 +- src/opes/ECVmultiThermalBaric.cpp | 2 +- src/opes/ECVumbrellasFile.cpp | 2 +- src/opes/ECVumbrellasLine.cpp | 2 +- src/opes/OPESexpanded.cpp | 2 +- src/opes/OPESmetad.cpp | 4 ++-- src/pamm/HBPammHydrogens.cpp | 2 +- src/pamm/HBPammMatrix.cpp | 2 +- src/pamm/PAMM.cpp | 2 +- src/piv/PIV.cpp | 2 +- src/pytorch/PytorchModel.cpp | 2 +- src/s2cm/S2ContactModel.cpp | 2 +- src/sasa/sasa_HASEL.cpp | 2 +- src/sasa/sasa_LCPO.cpp | 2 +- src/secondarystructure/AlphaRMSD.cpp | 2 +- src/secondarystructure/AntibetaRMSD.cpp | 2 +- src/secondarystructure/ParabetaRMSD.cpp | 2 +- src/setup/Load.cpp | 2 +- src/setup/Restart.cpp | 2 +- src/setup/Units.cpp | 2 +- src/vatom/Center.cpp | 4 ++-- src/vatom/FixedAtom.cpp | 2 +- src/vatom/Ghost.cpp | 2 +- src/ves/BF_Chebyshev.cpp | 2 +- src/ves/BF_Combined.cpp | 2 +- src/ves/BF_Cosine.cpp | 2 +- src/ves/BF_CubicBsplines.cpp | 2 +- src/ves/BF_Custom.cpp | 2 +- src/ves/BF_Fourier.cpp | 2 +- src/ves/BF_Gaussians.cpp | 2 +- src/ves/BF_Legendre.cpp | 2 +- src/ves/BF_Powers.cpp | 2 +- src/ves/BF_Sine.cpp | 2 +- src/ves/BF_Wavelets.cpp | 2 +- src/ves/Opt_Adam.cpp | 2 +- src/ves/Opt_BachAveragedSGD.cpp | 2 +- src/ves/Opt_Dummy.cpp | 2 +- src/ves/Opt_RobbinsMonroSGD.cpp | 2 +- src/ves/OutputBasisFunctions.cpp | 2 +- src/ves/OutputFesBias.cpp | 2 +- src/ves/OutputTargetDistribution.cpp | 2 +- src/ves/TD_Chi.cpp | 2 +- src/ves/TD_ChiSquared.cpp | 2 +- src/ves/TD_Custom.cpp | 2 +- src/ves/TD_Exponential.cpp | 2 +- src/ves/TD_ExponentiallyModifiedGaussian.cpp | 2 +- src/ves/TD_Gaussian.cpp | 2 +- src/ves/TD_GeneralizedExtremeValue.cpp | 2 +- src/ves/TD_GeneralizedNormal.cpp | 2 +- src/ves/TD_Grid.cpp | 2 +- src/ves/TD_LinearCombination.cpp | 2 +- src/ves/TD_Multicanonical.cpp | 2 +- src/ves/TD_MultithermalMultibaric.cpp | 2 +- src/ves/TD_ProductCombination.cpp | 2 +- src/ves/TD_ProductDistribution.cpp | 2 +- src/ves/TD_Uniform.cpp | 2 +- src/ves/TD_VonMises.cpp | 2 +- src/ves/TD_WellTempered.cpp | 2 +- src/ves/VesDeltaF.cpp | 2 +- src/ves/VesLinearExpansion.cpp | 2 +- 272 files changed, 299 insertions(+), 296 deletions(-) diff --git a/regtest/basic/rt15/Distance2.cpp b/regtest/basic/rt15/Distance2.cpp index 2529ca981d..3ff1f3562f 100644 --- a/regtest/basic/rt15/Distance2.cpp +++ b/regtest/basic/rt15/Distance2.cpp @@ -40,7 +40,7 @@ class Distance : public colvar::Colvar { virtual void calculate(); }; -PLUMED_REGISTER_ACTION(Distance,DISTANCE2) +PLUMED_REGISTER_ACTION(Distance,"DISTANCE2") void Distance::registerKeywords( Keywords& keys ){ Colvar::registerKeywords( keys ); diff --git a/src/adjmat/ClusterDiameter.cpp b/src/adjmat/ClusterDiameter.cpp index 964929cc92..aa67dce394 100644 --- a/src/adjmat/ClusterDiameter.cpp +++ b/src/adjmat/ClusterDiameter.cpp @@ -77,7 +77,7 @@ class ClusterDiameter : public ClusterAnalysisBase { void turnOnDerivatives() override; }; -PLUMED_REGISTER_ACTION(ClusterDiameter,CLUSTER_DIAMETER) +PLUMED_REGISTER_ACTION(ClusterDiameter,"CLUSTER_DIAMETER") void ClusterDiameter::registerKeywords( Keywords& keys ) { ClusterAnalysisBase::registerKeywords( keys ); diff --git a/src/adjmat/ClusterDistribution.cpp b/src/adjmat/ClusterDistribution.cpp index 4d9fe36d5b..5733eb8405 100644 --- a/src/adjmat/ClusterDistribution.cpp +++ b/src/adjmat/ClusterDistribution.cpp @@ -80,7 +80,7 @@ class ClusterDistribution : public ClusterAnalysisBase { void performTask( const unsigned&, const unsigned&, MultiValue& ) const override; }; -PLUMED_REGISTER_ACTION(ClusterDistribution,CLUSTER_DISTRIBUTION) +PLUMED_REGISTER_ACTION(ClusterDistribution,"CLUSTER_DISTRIBUTION") void ClusterDistribution::registerKeywords( Keywords& keys ) { ClusterAnalysisBase::registerKeywords( keys ); diff --git a/src/adjmat/ClusterProperties.cpp b/src/adjmat/ClusterProperties.cpp index 376b901560..5739fd443b 100644 --- a/src/adjmat/ClusterProperties.cpp +++ b/src/adjmat/ClusterProperties.cpp @@ -71,7 +71,7 @@ class ClusterProperties : public ClusterAnalysisBase { void performTask( const unsigned&, const unsigned&, MultiValue& ) const override; }; -PLUMED_REGISTER_ACTION(ClusterProperties,CLUSTER_PROPERTIES) +PLUMED_REGISTER_ACTION(ClusterProperties,"CLUSTER_PROPERTIES") void ClusterProperties::registerKeywords( Keywords& keys ) { ClusterAnalysisBase::registerKeywords( keys ); diff --git a/src/adjmat/ClusterSize.cpp b/src/adjmat/ClusterSize.cpp index 265493f69f..1f69058325 100644 --- a/src/adjmat/ClusterSize.cpp +++ b/src/adjmat/ClusterSize.cpp @@ -76,7 +76,7 @@ class ClusterSize : public ClusterAnalysisBase { void turnOnDerivatives() override; }; -PLUMED_REGISTER_ACTION(ClusterSize,CLUSTER_NATOMS) +PLUMED_REGISTER_ACTION(ClusterSize,"CLUSTER_NATOMS") void ClusterSize::registerKeywords( Keywords& keys ) { ClusterAnalysisBase::registerKeywords( keys ); diff --git a/src/adjmat/ClusterWithSurface.cpp b/src/adjmat/ClusterWithSurface.cpp index 2a7c7811ee..780dd7ab95 100644 --- a/src/adjmat/ClusterWithSurface.cpp +++ b/src/adjmat/ClusterWithSurface.cpp @@ -95,7 +95,7 @@ class ClusterWithSurface : public ClusteringBase { Vector getPositionOfAtomForLinkCells( const unsigned& taskIndex ) const override; }; -PLUMED_REGISTER_ACTION(ClusterWithSurface,CLUSTER_WITHSURFACE) +PLUMED_REGISTER_ACTION(ClusterWithSurface,"CLUSTER_WITHSURFACE") void ClusterWithSurface::registerKeywords( Keywords& keys ) { ClusteringBase::registerKeywords( keys ); diff --git a/src/adjmat/ContactAlignedMatrix.cpp b/src/adjmat/ContactAlignedMatrix.cpp index 798560354c..4a5669b955 100644 --- a/src/adjmat/ContactAlignedMatrix.cpp +++ b/src/adjmat/ContactAlignedMatrix.cpp @@ -84,7 +84,7 @@ class ContactAlignedMatrix : public AlignedMatrixBase { Vector& dconn, std::vector& dvec1, std::vector& dvec2 ) const override; }; -PLUMED_REGISTER_ACTION(ContactAlignedMatrix,ALIGNED_MATRIX) +PLUMED_REGISTER_ACTION(ContactAlignedMatrix,"ALIGNED_MATRIX") void ContactAlignedMatrix::registerKeywords( Keywords& keys ) { AlignedMatrixBase::registerKeywords( keys ); diff --git a/src/adjmat/ContactMatrix.cpp b/src/adjmat/ContactMatrix.cpp index e0fe0f022d..6e4b68496f 100644 --- a/src/adjmat/ContactMatrix.cpp +++ b/src/adjmat/ContactMatrix.cpp @@ -80,7 +80,7 @@ class ContactMatrix : public AdjacencyMatrixBase { double compute( const unsigned& tindex, multicolvar::AtomValuePack& myatoms ) const override; }; -PLUMED_REGISTER_ACTION(ContactMatrix,CONTACT_MATRIX) +PLUMED_REGISTER_ACTION(ContactMatrix,"CONTACT_MATRIX") void ContactMatrix::registerKeywords( Keywords& keys ) { AdjacencyMatrixBase::registerKeywords( keys ); diff --git a/src/adjmat/DFSClustering.cpp b/src/adjmat/DFSClustering.cpp index 7de9b955a2..aea152c059 100644 --- a/src/adjmat/DFSClustering.cpp +++ b/src/adjmat/DFSClustering.cpp @@ -91,7 +91,7 @@ class DFSClustering : public ClusteringBase { void performClustering() override; }; -PLUMED_REGISTER_ACTION(DFSClustering,DFSCLUSTERING) +PLUMED_REGISTER_ACTION(DFSClustering,"DFSCLUSTERING") void DFSClustering::registerKeywords( Keywords& keys ) { ClusteringBase::registerKeywords( keys ); diff --git a/src/adjmat/DumpGraph.cpp b/src/adjmat/DumpGraph.cpp index 3136d66986..e7755ee8fd 100644 --- a/src/adjmat/DumpGraph.cpp +++ b/src/adjmat/DumpGraph.cpp @@ -60,7 +60,7 @@ class DumpGraph : public ActionPilot { void update() override; }; -PLUMED_REGISTER_ACTION(DumpGraph,DUMPGRAPH) +PLUMED_REGISTER_ACTION(DumpGraph,"DUMPGRAPH") void DumpGraph::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); ActionPilot::registerKeywords( keys ); diff --git a/src/adjmat/HbondMatrix.cpp b/src/adjmat/HbondMatrix.cpp index d2b8571be2..887ec94ff3 100644 --- a/src/adjmat/HbondMatrix.cpp +++ b/src/adjmat/HbondMatrix.cpp @@ -104,7 +104,7 @@ class HBondMatrix : public AdjacencyMatrixBase { const double& ood_df, const double& ood_sw, multicolvar::AtomValuePack& myatoms ) const; }; -PLUMED_REGISTER_ACTION(HBondMatrix,HBOND_MATRIX) +PLUMED_REGISTER_ACTION(HBondMatrix,"HBOND_MATRIX") void HBondMatrix::registerKeywords( Keywords& keys ) { AdjacencyMatrixBase::registerKeywords( keys ); diff --git a/src/adjmat/MatrixColumnSums.cpp b/src/adjmat/MatrixColumnSums.cpp index a7a04ea939..a3775c2f41 100644 --- a/src/adjmat/MatrixColumnSums.cpp +++ b/src/adjmat/MatrixColumnSums.cpp @@ -72,7 +72,7 @@ class MatrixColumnSums : public ActionWithInputMatrix { double compute( const unsigned& tinded, multicolvar::AtomValuePack& myatoms ) const override; }; -PLUMED_REGISTER_ACTION(MatrixColumnSums,COLUMNSUMS) +PLUMED_REGISTER_ACTION(MatrixColumnSums,"COLUMNSUMS") void MatrixColumnSums::registerKeywords( Keywords& keys ) { ActionWithInputMatrix::registerKeywords( keys ); diff --git a/src/adjmat/MatrixRowSums.cpp b/src/adjmat/MatrixRowSums.cpp index d9ac488dec..4905f9b0aa 100644 --- a/src/adjmat/MatrixRowSums.cpp +++ b/src/adjmat/MatrixRowSums.cpp @@ -72,7 +72,7 @@ class MatrixRowSums : public ActionWithInputMatrix { double compute( const unsigned& tinded, multicolvar::AtomValuePack& myatoms ) const override; }; -PLUMED_REGISTER_ACTION(MatrixRowSums,ROWSUMS) +PLUMED_REGISTER_ACTION(MatrixRowSums,"ROWSUMS") void MatrixRowSums::registerKeywords( Keywords& keys ) { ActionWithInputMatrix::registerKeywords( keys ); diff --git a/src/adjmat/OutputCluster.cpp b/src/adjmat/OutputCluster.cpp index 2c6b77544d..7fe7a3cd27 100644 --- a/src/adjmat/OutputCluster.cpp +++ b/src/adjmat/OutputCluster.cpp @@ -86,7 +86,7 @@ class OutputCluster : public ActionPilot { void update() override; }; -PLUMED_REGISTER_ACTION(OutputCluster,OUTPUT_CLUSTER) +PLUMED_REGISTER_ACTION(OutputCluster,"OUTPUT_CLUSTER") void OutputCluster::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/adjmat/SMACMatrix.cpp b/src/adjmat/SMACMatrix.cpp index 999cd68bf8..416ea0c47b 100644 --- a/src/adjmat/SMACMatrix.cpp +++ b/src/adjmat/SMACMatrix.cpp @@ -92,7 +92,7 @@ class SMACMatrix : public AlignedMatrixBase { Vector& dconn, std::vector& dvec1, std::vector& dvec2 ) const override; }; -PLUMED_REGISTER_ACTION(SMACMatrix,SMAC_MATRIX) +PLUMED_REGISTER_ACTION(SMACMatrix,"SMAC_MATRIX") void SMACMatrix::registerKeywords( Keywords& keys ) { AlignedMatrixBase::registerKeywords( keys ); diff --git a/src/adjmat/Sprint.cpp b/src/adjmat/Sprint.cpp index 9da14d5dae..d0c135883c 100644 --- a/src/adjmat/Sprint.cpp +++ b/src/adjmat/Sprint.cpp @@ -105,7 +105,7 @@ class Sprint : public ActionWithInputMatrix { void apply() override; }; -PLUMED_REGISTER_ACTION(Sprint,SPRINT) +PLUMED_REGISTER_ACTION(Sprint,"SPRINT") void Sprint::registerKeywords( Keywords& keys ) { ActionWithInputMatrix::registerKeywords( keys ); diff --git a/src/adjmat/TopologyMatrix.cpp b/src/adjmat/TopologyMatrix.cpp index eaaa5e3416..07abbd501a 100644 --- a/src/adjmat/TopologyMatrix.cpp +++ b/src/adjmat/TopologyMatrix.cpp @@ -75,7 +75,7 @@ class TopologyMatrix : public AdjacencyMatrixBase { HistogramBead& bead, multicolvar::AtomValuePack& myatoms ) const ; }; -PLUMED_REGISTER_ACTION(TopologyMatrix,TOPOLOGY_MATRIX) +PLUMED_REGISTER_ACTION(TopologyMatrix,"TOPOLOGY_MATRIX") void TopologyMatrix::registerKeywords( Keywords& keys ) { AdjacencyMatrixBase::registerKeywords( keys ); diff --git a/src/analysis/Average.cpp b/src/analysis/Average.cpp index 0d16c67af1..b3fbb8e7a0 100644 --- a/src/analysis/Average.cpp +++ b/src/analysis/Average.cpp @@ -104,7 +104,7 @@ class Average : public vesselbase::ActionWithAveraging { void accumulateAverage( MultiValue& myvals ) const override; }; -PLUMED_REGISTER_ACTION(Average,AVERAGE) +PLUMED_REGISTER_ACTION(Average,"AVERAGE") void Average::registerKeywords( Keywords& keys ) { vesselbase::ActionWithAveraging::registerKeywords( keys ); keys.use("ARG"); diff --git a/src/analysis/Committor.cpp b/src/analysis/Committor.cpp index e8713601e6..5c65db67d8 100644 --- a/src/analysis/Committor.cpp +++ b/src/analysis/Committor.cpp @@ -74,7 +74,7 @@ class Committor : void apply() override {} }; -PLUMED_REGISTER_ACTION(Committor,COMMITTOR) +PLUMED_REGISTER_ACTION(Committor,"COMMITTOR") void Committor::registerKeywords( Keywords& keys ) { Action::registerKeywords(keys); diff --git a/src/analysis/EuclideanDissimilarityMatrix.cpp b/src/analysis/EuclideanDissimilarityMatrix.cpp index 035769025e..fff6bf51b5 100644 --- a/src/analysis/EuclideanDissimilarityMatrix.cpp +++ b/src/analysis/EuclideanDissimilarityMatrix.cpp @@ -57,7 +57,7 @@ class EuclideanDissimilarityMatrix : public AnalysisBase { void performTask( const unsigned&, const unsigned&, MultiValue& ) const override { plumed_error(); } }; -PLUMED_REGISTER_ACTION(PLMD::analysis::EuclideanDissimilarityMatrix,EUCLIDEAN_DISSIMILARITIES) +PLUMED_REGISTER_ACTION(EuclideanDissimilarityMatrix,"EUCLIDEAN_DISSIMILARITIES") void EuclideanDissimilarityMatrix::registerKeywords( Keywords& keys ) { AnalysisBase::registerKeywords( keys ); keys.use("ARG"); keys.reset_style("ARG","optional"); diff --git a/src/analysis/FarthestPointSampling.cpp b/src/analysis/FarthestPointSampling.cpp index ad50f37205..80bbce30e6 100644 --- a/src/analysis/FarthestPointSampling.cpp +++ b/src/analysis/FarthestPointSampling.cpp @@ -44,7 +44,7 @@ class FarthestPointSampling : public LandmarkSelectionBase { void selectLandmarks() override; }; -PLUMED_REGISTER_ACTION(FarthestPointSampling,LANDMARK_SELECT_FPS) +PLUMED_REGISTER_ACTION(FarthestPointSampling,"LANDMARK_SELECT_FPS") void FarthestPointSampling::registerKeywords( Keywords& keys ) { LandmarkSelectionBase::registerKeywords(keys); diff --git a/src/analysis/Histogram.cpp b/src/analysis/Histogram.cpp index b45b5b2b0a..e13b905bad 100644 --- a/src/analysis/Histogram.cpp +++ b/src/analysis/Histogram.cpp @@ -220,7 +220,7 @@ class Histogram : public gridtools::ActionWithGrid { void apply() override; }; -PLUMED_REGISTER_ACTION(Histogram,HISTOGRAM) +PLUMED_REGISTER_ACTION(Histogram,"HISTOGRAM") void Histogram::registerKeywords( Keywords& keys ) { gridtools::ActionWithGrid::registerKeywords( keys ); keys.use("ARG"); keys.remove("NORMALIZATION"); diff --git a/src/analysis/LandmarkStaged.cpp b/src/analysis/LandmarkStaged.cpp index 5341effc06..5471c79391 100644 --- a/src/analysis/LandmarkStaged.cpp +++ b/src/analysis/LandmarkStaged.cpp @@ -47,7 +47,7 @@ class LandmarkStaged : public LandmarkSelectionBase { void selectLandmarks() override; }; -PLUMED_REGISTER_ACTION(LandmarkStaged,LANDMARK_SELECT_STAGED) +PLUMED_REGISTER_ACTION(LandmarkStaged,"LANDMARK_SELECT_STAGED") void LandmarkStaged::registerKeywords( Keywords& keys ) { LandmarkSelectionBase::registerKeywords(keys); diff --git a/src/analysis/OutputColvarFile.cpp b/src/analysis/OutputColvarFile.cpp index 44e31e9edb..c5f67ee37a 100644 --- a/src/analysis/OutputColvarFile.cpp +++ b/src/analysis/OutputColvarFile.cpp @@ -57,7 +57,7 @@ class OutputColvarFile : public AnalysisBase { void performAnalysis() override; }; -PLUMED_REGISTER_ACTION(OutputColvarFile,OUTPUT_ANALYSIS_DATA_TO_COLVAR) +PLUMED_REGISTER_ACTION(OutputColvarFile,"OUTPUT_ANALYSIS_DATA_TO_COLVAR") void OutputColvarFile::registerKeywords( Keywords& keys ) { AnalysisBase::registerKeywords( keys ); keys.use("ARG"); diff --git a/src/analysis/OutputPDBFile.cpp b/src/analysis/OutputPDBFile.cpp index d9bbfc2731..d1f661958f 100644 --- a/src/analysis/OutputPDBFile.cpp +++ b/src/analysis/OutputPDBFile.cpp @@ -53,7 +53,7 @@ class OutputPDBFile : public AnalysisBase { void performAnalysis() override; }; -PLUMED_REGISTER_ACTION(OutputPDBFile,OUTPUT_ANALYSIS_DATA_TO_PDB) +PLUMED_REGISTER_ACTION(OutputPDBFile,"OUTPUT_ANALYSIS_DATA_TO_PDB") void OutputPDBFile::registerKeywords( Keywords& keys ) { AnalysisBase::registerKeywords( keys ); diff --git a/src/analysis/PrintDissimilarityMatrix.cpp b/src/analysis/PrintDissimilarityMatrix.cpp index be8d14c70b..c1c3b190c9 100644 --- a/src/analysis/PrintDissimilarityMatrix.cpp +++ b/src/analysis/PrintDissimilarityMatrix.cpp @@ -47,7 +47,7 @@ class PrintDissimilarityMatrix : public AnalysisBase { void performTask( const unsigned&, const unsigned&, MultiValue& ) const override { plumed_error(); } }; -PLUMED_REGISTER_ACTION(PrintDissimilarityMatrix,PRINT_DISSIMILARITY_MATRIX) +PLUMED_REGISTER_ACTION(PrintDissimilarityMatrix,"PRINT_DISSIMILARITY_MATRIX") void PrintDissimilarityMatrix::registerKeywords( Keywords& keys ) { AnalysisBase::registerKeywords( keys ); diff --git a/src/analysis/ReadAnalysisFrames.cpp b/src/analysis/ReadAnalysisFrames.cpp index fa6a7e70f9..4739c2df72 100644 --- a/src/analysis/ReadAnalysisFrames.cpp +++ b/src/analysis/ReadAnalysisFrames.cpp @@ -36,7 +36,7 @@ This allows you to convert a trajectory and a dissimilarity matrix into a dissim namespace PLMD { namespace analysis { -PLUMED_REGISTER_ACTION(ReadAnalysisFrames,COLLECT_FRAMES) +PLUMED_REGISTER_ACTION(ReadAnalysisFrames,"COLLECT_FRAMES") void ReadAnalysisFrames::registerKeywords( Keywords& keys ) { AnalysisBase::registerKeywords( keys ); diff --git a/src/analysis/ReadDissimilarityMatrix.cpp b/src/analysis/ReadDissimilarityMatrix.cpp index b0662ad9b9..5654feb71b 100644 --- a/src/analysis/ReadDissimilarityMatrix.cpp +++ b/src/analysis/ReadDissimilarityMatrix.cpp @@ -73,7 +73,7 @@ class ReadDissimilarityMatrix : public AnalysisBase { void performTask( const unsigned&, const unsigned&, MultiValue& ) const override { plumed_error(); } }; -PLUMED_REGISTER_ACTION(ReadDissimilarityMatrix,READ_DISSIMILARITY_MATRIX) +PLUMED_REGISTER_ACTION(ReadDissimilarityMatrix,"READ_DISSIMILARITY_MATRIX") void ReadDissimilarityMatrix::registerKeywords( Keywords& keys ) { AnalysisBase::registerKeywords( keys ); diff --git a/src/analysis/ReselectLandmarks.cpp b/src/analysis/ReselectLandmarks.cpp index 2422b42513..a52767c7c8 100644 --- a/src/analysis/ReselectLandmarks.cpp +++ b/src/analysis/ReselectLandmarks.cpp @@ -46,7 +46,7 @@ class ReselectLandmarks : public LandmarkSelectionBase { void selectLandmarks() override; }; -PLUMED_REGISTER_ACTION(ReselectLandmarks,RESELECT_LANDMARKS) +PLUMED_REGISTER_ACTION(ReselectLandmarks,"RESELECT_LANDMARKS") void ReselectLandmarks::registerKeywords( Keywords& keys ) { LandmarkSelectionBase::registerKeywords(keys); diff --git a/src/analysis/SelectRandomFrames.cpp b/src/analysis/SelectRandomFrames.cpp index c2c49ec79b..a0ab44c1fe 100644 --- a/src/analysis/SelectRandomFrames.cpp +++ b/src/analysis/SelectRandomFrames.cpp @@ -44,7 +44,7 @@ class SelectRandomFrames : public LandmarkSelectionBase { void selectLandmarks() override; }; -PLUMED_REGISTER_ACTION(SelectRandomFrames,LANDMARK_SELECT_RANDOM) +PLUMED_REGISTER_ACTION(SelectRandomFrames,"LANDMARK_SELECT_RANDOM") void SelectRandomFrames::registerKeywords( Keywords& keys ) { LandmarkSelectionBase::registerKeywords(keys); diff --git a/src/analysis/SelectWithStride.cpp b/src/analysis/SelectWithStride.cpp index ed7bf0dbb5..197ca56690 100644 --- a/src/analysis/SelectWithStride.cpp +++ b/src/analysis/SelectWithStride.cpp @@ -41,7 +41,7 @@ class SelectWithStride : public LandmarkSelectionBase { void selectLandmarks() override; }; -PLUMED_REGISTER_ACTION(SelectWithStride,LANDMARK_SELECT_STRIDE) +PLUMED_REGISTER_ACTION(SelectWithStride,"LANDMARK_SELECT_STRIDE") void SelectWithStride::registerKeywords( Keywords& keys ) { LandmarkSelectionBase::registerKeywords( keys ); diff --git a/src/analysis/WhamHistogram.cpp b/src/analysis/WhamHistogram.cpp index 8a03cd06fb..c62424eed6 100644 --- a/src/analysis/WhamHistogram.cpp +++ b/src/analysis/WhamHistogram.cpp @@ -78,7 +78,7 @@ class WhamHistogram : public ActionShortcut { explicit WhamHistogram( const ActionOptions& ); }; -PLUMED_REGISTER_ACTION(WhamHistogram,WHAM_HISTOGRAM) +PLUMED_REGISTER_ACTION(WhamHistogram,"WHAM_HISTOGRAM") void WhamHistogram::registerKeywords( Keywords& keys ) { ActionShortcut::registerKeywords( keys ); diff --git a/src/analysis/WhamWeights.cpp b/src/analysis/WhamWeights.cpp index 45c2508f5a..431d0d27fb 100644 --- a/src/analysis/WhamWeights.cpp +++ b/src/analysis/WhamWeights.cpp @@ -72,7 +72,7 @@ class WhamWeights : public ActionShortcut { explicit WhamWeights( const ActionOptions& ); }; -PLUMED_REGISTER_ACTION(WhamWeights,WHAM_WEIGHTS) +PLUMED_REGISTER_ACTION(WhamWeights,"WHAM_WEIGHTS") void WhamWeights::registerKeywords( Keywords& keys ) { ActionShortcut::registerKeywords( keys ); keys.remove("LABEL"); diff --git a/src/annfunc/ANN.cpp b/src/annfunc/ANN.cpp index cf8b605448..fb192a48fd 100644 --- a/src/annfunc/ANN.cpp +++ b/src/annfunc/ANN.cpp @@ -107,7 +107,7 @@ class ANN : public Function void back_prop(vector >& derivatives_of_each_layer, int index_of_output_component); }; -PLUMED_REGISTER_ACTION(ANN,ANN) +PLUMED_REGISTER_ACTION(ANN,"ANN") void ANN::registerKeywords( Keywords& keys ) { Function::registerKeywords(keys); diff --git a/src/bias/ABMD.cpp b/src/bias/ABMD.cpp index 8165ae55f4..dd9400ce52 100644 --- a/src/bias/ABMD.cpp +++ b/src/bias/ABMD.cpp @@ -92,7 +92,7 @@ class ABMD : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(ABMD,ABMD) +PLUMED_REGISTER_ACTION(ABMD,"ABMD") void ABMD::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/BiasValue.cpp b/src/bias/BiasValue.cpp index caeb96d899..161385f6c5 100644 --- a/src/bias/BiasValue.cpp +++ b/src/bias/BiasValue.cpp @@ -79,7 +79,7 @@ class BiasValue : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(BiasValue,BIASVALUE) +PLUMED_REGISTER_ACTION(BiasValue,"BIASVALUE") void BiasValue::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/ExtendedLagrangian.cpp b/src/bias/ExtendedLagrangian.cpp index 2539079455..caeffa71a0 100644 --- a/src/bias/ExtendedLagrangian.cpp +++ b/src/bias/ExtendedLagrangian.cpp @@ -126,7 +126,7 @@ class ExtendedLagrangian : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(ExtendedLagrangian,EXTENDED_LAGRANGIAN) +PLUMED_REGISTER_ACTION(ExtendedLagrangian,"EXTENDED_LAGRANGIAN") void ExtendedLagrangian::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/External.cpp b/src/bias/External.cpp index 0a6e5a072d..436208c10b 100644 --- a/src/bias/External.cpp +++ b/src/bias/External.cpp @@ -118,7 +118,7 @@ class External : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(External,EXTERNAL) +PLUMED_REGISTER_ACTION(External,"EXTERNAL") void External::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/LWalls.cpp b/src/bias/LWalls.cpp index 0608ffe51f..5e6834234a 100644 --- a/src/bias/LWalls.cpp +++ b/src/bias/LWalls.cpp @@ -73,7 +73,7 @@ class LWalls : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(LWalls,LOWER_WALLS) +PLUMED_REGISTER_ACTION(LWalls,"LOWER_WALLS") void LWalls::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/MaxEnt.cpp b/src/bias/MaxEnt.cpp index 2e307c6240..cc212876ea 100644 --- a/src/bias/MaxEnt.cpp +++ b/src/bias/MaxEnt.cpp @@ -160,7 +160,7 @@ class MaxEnt : public Bias { double convert_lambda(const std::string &type,double lold); void check_lambda_boundaries(const std::string &err_type,double &l); }; -PLUMED_REGISTER_ACTION(MaxEnt,MAXENT) +PLUMED_REGISTER_ACTION(MaxEnt,"MAXENT") void MaxEnt::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/MetaD.cpp b/src/bias/MetaD.cpp index f7050d4d2e..d314ba2c75 100644 --- a/src/bias/MetaD.cpp +++ b/src/bias/MetaD.cpp @@ -516,7 +516,7 @@ class MetaD : public Bias { bool checkNeedsGradients()const override; }; -PLUMED_REGISTER_ACTION(MetaD,METAD) +PLUMED_REGISTER_ACTION(MetaD,"METAD") void MetaD::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/MovingRestraint.cpp b/src/bias/MovingRestraint.cpp index 5322b2310e..5065d2476c 100644 --- a/src/bias/MovingRestraint.cpp +++ b/src/bias/MovingRestraint.cpp @@ -114,7 +114,7 @@ class MovingRestraint : public Bias { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(MovingRestraint,MOVINGRESTRAINT) +PLUMED_REGISTER_ACTION(MovingRestraint,"MOVINGRESTRAINT") void MovingRestraint::registerKeywords( Keywords& keys ) { Bias::registerKeywords(keys); diff --git a/src/bias/PBMetaD.cpp b/src/bias/PBMetaD.cpp index 13ab99037a..74f32330e1 100644 --- a/src/bias/PBMetaD.cpp +++ b/src/bias/PBMetaD.cpp @@ -326,7 +326,7 @@ class PBMetaD : public Bias { bool checkNeedsGradients()const override; }; -PLUMED_REGISTER_ACTION(PBMetaD,PBMETAD) +PLUMED_REGISTER_ACTION(PBMetaD,"PBMETAD") void PBMetaD::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/Restraint.cpp b/src/bias/Restraint.cpp index 13f3ee91a3..4644fa2eae 100644 --- a/src/bias/Restraint.cpp +++ b/src/bias/Restraint.cpp @@ -67,7 +67,7 @@ class Restraint : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(Restraint,RESTRAINT) +PLUMED_REGISTER_ACTION(Restraint,"RESTRAINT") void Restraint::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/bias/ReweightBias.cpp b/src/bias/ReweightBias.cpp index fc9f55bbc7..6059c998ea 100644 --- a/src/bias/ReweightBias.cpp +++ b/src/bias/ReweightBias.cpp @@ -75,7 +75,7 @@ class ReweightBias : public ReweightBase { double getLogWeight() override; }; -PLUMED_REGISTER_ACTION(ReweightBias,REWEIGHT_BIAS) +PLUMED_REGISTER_ACTION(ReweightBias,"REWEIGHT_BIAS") void ReweightBias::registerKeywords(Keywords& keys ) { ReweightBase::registerKeywords( keys ); keys.remove("ARG"); diff --git a/src/bias/ReweightMetad.cpp b/src/bias/ReweightMetad.cpp index d9dc69a461..f224680d8b 100644 --- a/src/bias/ReweightMetad.cpp +++ b/src/bias/ReweightMetad.cpp @@ -72,7 +72,7 @@ class ReweightMetad : public ReweightBase { double getLogWeight() override; }; -PLUMED_REGISTER_ACTION(ReweightMetad,REWEIGHT_METAD) +PLUMED_REGISTER_ACTION(ReweightMetad,"REWEIGHT_METAD") void ReweightMetad::registerKeywords(Keywords& keys ) { ReweightBase::registerKeywords( keys ); keys.remove("ARG"); diff --git a/src/bias/ReweightTemperaturePressure.cpp b/src/bias/ReweightTemperaturePressure.cpp index 53f1f6ccf0..3edbdbcf19 100644 --- a/src/bias/ReweightTemperaturePressure.cpp +++ b/src/bias/ReweightTemperaturePressure.cpp @@ -187,7 +187,7 @@ class ReweightTemperaturePressure : public ReweightBase { double getLogWeight() override; }; -PLUMED_REGISTER_ACTION(ReweightTemperaturePressure,REWEIGHT_TEMP_PRESS) +PLUMED_REGISTER_ACTION(ReweightTemperaturePressure,"REWEIGHT_TEMP_PRESS") void ReweightTemperaturePressure::registerKeywords(Keywords& keys ) { ReweightBase::registerKeywords( keys ); diff --git a/src/bias/ReweightWham.cpp b/src/bias/ReweightWham.cpp index 984ddeba1f..b6628aa57d 100644 --- a/src/bias/ReweightWham.cpp +++ b/src/bias/ReweightWham.cpp @@ -93,7 +93,7 @@ class ReweightWham : public ReweightBase { double getWeight( const unsigned& iweight ) const override; }; -PLUMED_REGISTER_ACTION(ReweightWham,REWEIGHT_WHAM) +PLUMED_REGISTER_ACTION(ReweightWham,"REWEIGHT_WHAM") void ReweightWham::registerKeywords(Keywords& keys ) { ReweightBase::registerKeywords( keys ); keys.remove("ARG"); diff --git a/src/bias/UWalls.cpp b/src/bias/UWalls.cpp index 00af1b20d9..0abc063f9e 100644 --- a/src/bias/UWalls.cpp +++ b/src/bias/UWalls.cpp @@ -72,7 +72,7 @@ class UWalls : public Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(UWalls,UPPER_WALLS) +PLUMED_REGISTER_ACTION(UWalls,"UPPER_WALLS") void UWalls::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/colvar/Angle.cpp b/src/colvar/Angle.cpp index fa3b411e27..97ff219730 100644 --- a/src/colvar/Angle.cpp +++ b/src/colvar/Angle.cpp @@ -88,7 +88,7 @@ class Angle : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Angle,ANGLE) +PLUMED_REGISTER_ACTION(Angle,"ANGLE") void Angle::registerKeywords( Keywords& keys ) { Colvar::registerKeywords(keys); diff --git a/src/colvar/Cell.cpp b/src/colvar/Cell.cpp index 601708f9b1..c6c447ac7e 100644 --- a/src/colvar/Cell.cpp +++ b/src/colvar/Cell.cpp @@ -55,7 +55,7 @@ class Cell : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Cell,CELL) +PLUMED_REGISTER_ACTION(Cell,"CELL") Cell::Cell(const ActionOptions&ao): PLUMED_COLVAR_INIT(ao) diff --git a/src/colvar/Constant.cpp b/src/colvar/Constant.cpp index 5164145b5f..ea8de35ac3 100644 --- a/src/colvar/Constant.cpp +++ b/src/colvar/Constant.cpp @@ -66,7 +66,7 @@ class Constant : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Constant,CONSTANT) +PLUMED_REGISTER_ACTION(Constant,"CONSTANT") Constant::Constant(const ActionOptions&ao): PLUMED_COLVAR_INIT(ao) diff --git a/src/colvar/ContactMap.cpp b/src/colvar/ContactMap.cpp index e69d279042..a8b393f012 100644 --- a/src/colvar/ContactMap.cpp +++ b/src/colvar/ContactMap.cpp @@ -115,7 +115,7 @@ class ContactMap : public Colvar { void checkFieldsAllowed() override {} }; -PLUMED_REGISTER_ACTION(ContactMap,CONTACTMAP) +PLUMED_REGISTER_ACTION(ContactMap,"CONTACTMAP") void ContactMap::registerKeywords( Keywords& keys ) { Colvar::registerKeywords( keys ); diff --git a/src/colvar/Coordination.cpp b/src/colvar/Coordination.cpp index a183050a50..146f799292 100644 --- a/src/colvar/Coordination.cpp +++ b/src/colvar/Coordination.cpp @@ -102,7 +102,7 @@ class Coordination : public CoordinationBase { double pairing(double distance,double&dfunc,unsigned i,unsigned j)const override; }; -PLUMED_REGISTER_ACTION(Coordination,COORDINATION) +PLUMED_REGISTER_ACTION(Coordination,"COORDINATION") void Coordination::registerKeywords( Keywords& keys ) { CoordinationBase::registerKeywords(keys); diff --git a/src/colvar/DHEnergy.cpp b/src/colvar/DHEnergy.cpp index 8e52138bcb..fe67cea498 100644 --- a/src/colvar/DHEnergy.cpp +++ b/src/colvar/DHEnergy.cpp @@ -72,7 +72,7 @@ class DHEnergy : public CoordinationBase { double pairing(double distance,double&dfunc,unsigned i,unsigned j)const override; }; -PLUMED_REGISTER_ACTION(DHEnergy,DHENERGY) +PLUMED_REGISTER_ACTION(DHEnergy,"DHENERGY") void DHEnergy::registerKeywords( Keywords& keys ) { CoordinationBase::registerKeywords(keys); diff --git a/src/colvar/DRMSD.cpp b/src/colvar/DRMSD.cpp index 882c54b733..b869fea912 100644 --- a/src/colvar/DRMSD.cpp +++ b/src/colvar/DRMSD.cpp @@ -119,7 +119,7 @@ class DRMSD : public Colvar { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(DRMSD,DRMSD) +PLUMED_REGISTER_ACTION(DRMSD,"DRMSD") void DRMSD::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/Dimer.cpp b/src/colvar/Dimer.cpp index 98a72fbacd..549d43884b 100644 --- a/src/colvar/Dimer.cpp +++ b/src/colvar/Dimer.cpp @@ -140,7 +140,7 @@ class Dimer : public Colvar { }; -PLUMED_REGISTER_ACTION(Dimer, DIMER) +PLUMED_REGISTER_ACTION(Dimer, "DIMER") diff --git a/src/colvar/Dipole.cpp b/src/colvar/Dipole.cpp index 38ac0644c4..5e985e3c5b 100644 --- a/src/colvar/Dipole.cpp +++ b/src/colvar/Dipole.cpp @@ -68,7 +68,7 @@ class Dipole : public Colvar { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(Dipole,DIPOLE) +PLUMED_REGISTER_ACTION(Dipole,"DIPOLE") void Dipole::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/Distance.cpp b/src/colvar/Distance.cpp index 356b80190a..bf901435f9 100644 --- a/src/colvar/Distance.cpp +++ b/src/colvar/Distance.cpp @@ -115,7 +115,7 @@ class Distance : public Colvar { void calculate() override; }; -PLUMED_REGISTER_ACTION(Distance,DISTANCE) +PLUMED_REGISTER_ACTION(Distance,"DISTANCE") void Distance::registerKeywords( Keywords& keys ) { Colvar::registerKeywords( keys ); diff --git a/src/colvar/EEFSolv.cpp b/src/colvar/EEFSolv.cpp index be54cf3813..7cf1a1e07e 100644 --- a/src/colvar/EEFSolv.cpp +++ b/src/colvar/EEFSolv.cpp @@ -99,7 +99,7 @@ class EEFSolv : public Colvar { void calculate() override; }; -PLUMED_REGISTER_ACTION(EEFSolv,EEFSOLV) +PLUMED_REGISTER_ACTION(EEFSolv,"EEFSOLV") void EEFSolv::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/ERMSD.cpp b/src/colvar/ERMSD.cpp index 11f485d9db..5ce858b23c 100644 --- a/src/colvar/ERMSD.cpp +++ b/src/colvar/ERMSD.cpp @@ -113,7 +113,7 @@ class ERMSD : public Colvar { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(ERMSD,ERMSD) +PLUMED_REGISTER_ACTION(ERMSD,"ERMSD") void ERMSD::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/Energy.cpp b/src/colvar/Energy.cpp index bce568442b..e3f6a49132 100644 --- a/src/colvar/Energy.cpp +++ b/src/colvar/Energy.cpp @@ -72,7 +72,7 @@ class Energy : public Colvar { }; -PLUMED_REGISTER_ACTION(Energy,ENERGY) +PLUMED_REGISTER_ACTION(Energy,"ENERGY") Energy::Energy(const ActionOptions&ao): PLUMED_COLVAR_INIT(ao) diff --git a/src/colvar/ExtraCV.cpp b/src/colvar/ExtraCV.cpp index 4591030cfb..4313772722 100644 --- a/src/colvar/ExtraCV.cpp +++ b/src/colvar/ExtraCV.cpp @@ -61,7 +61,7 @@ class ExtraCV : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(ExtraCV,EXTRACV) +PLUMED_REGISTER_ACTION(ExtraCV,"EXTRACV") ExtraCV::ExtraCV(const ActionOptions&ao): PLUMED_COLVAR_INIT(ao) diff --git a/src/colvar/Fake.cpp b/src/colvar/Fake.cpp index 1ed120f818..df42695fb7 100644 --- a/src/colvar/Fake.cpp +++ b/src/colvar/Fake.cpp @@ -47,7 +47,7 @@ class ColvarFake : public Colvar { void calculate() override; }; -PLUMED_REGISTER_ACTION(ColvarFake,FAKE) +PLUMED_REGISTER_ACTION(ColvarFake,"FAKE") void ColvarFake::registerKeywords( Keywords& keys ) { Colvar::registerKeywords( keys ); diff --git a/src/colvar/GHBFIX.cpp b/src/colvar/GHBFIX.cpp index 8a037c36a1..a8fea5304f 100644 --- a/src/colvar/GHBFIX.cpp +++ b/src/colvar/GHBFIX.cpp @@ -82,7 +82,7 @@ class GHBFIX : public CoordinationBase { double pairing(double distance,double&dfunc,unsigned i,unsigned j)const override; }; -PLUMED_REGISTER_ACTION(GHBFIX,GHBFIX) +PLUMED_REGISTER_ACTION(GHBFIX,"GHBFIX") void GHBFIX::registerKeywords( Keywords& keys ) { CoordinationBase::registerKeywords(keys); diff --git a/src/colvar/Gyration.cpp b/src/colvar/Gyration.cpp index 3d612bd15f..a18aa1a90f 100644 --- a/src/colvar/Gyration.cpp +++ b/src/colvar/Gyration.cpp @@ -89,7 +89,7 @@ class Gyration : public Colvar { void calculate() override; }; -PLUMED_REGISTER_ACTION(Gyration,GYRATION) +PLUMED_REGISTER_ACTION(Gyration,"GYRATION") void Gyration::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/MultiRMSD.cpp b/src/colvar/MultiRMSD.cpp index 7df596b69e..24e94eb5e6 100644 --- a/src/colvar/MultiRMSD.cpp +++ b/src/colvar/MultiRMSD.cpp @@ -140,7 +140,7 @@ END */ //+ENDPLUMEDOC -PLUMED_REGISTER_ACTION(MultiRMSD,MULTI_RMSD) +PLUMED_REGISTER_ACTION(MultiRMSD,"MULTI_RMSD") void MultiRMSD::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/PCARMSD.cpp b/src/colvar/PCARMSD.cpp index f11d244168..8ae983eab2 100644 --- a/src/colvar/PCARMSD.cpp +++ b/src/colvar/PCARMSD.cpp @@ -100,7 +100,7 @@ ENDMDL */ //+ENDPLUMEDOC -PLUMED_REGISTER_ACTION(PCARMSD,PCARMSD) +PLUMED_REGISTER_ACTION(PCARMSD,"PCARMSD") void PCARMSD::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/PathMSD.cpp b/src/colvar/PathMSD.cpp index c3381f4a0c..80c4b148d4 100644 --- a/src/colvar/PathMSD.cpp +++ b/src/colvar/PathMSD.cpp @@ -95,7 +95,7 @@ class PathMSD : public PathMSDBase { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(PathMSD,PATHMSD) +PLUMED_REGISTER_ACTION(PathMSD,"PATHMSD") void PathMSD::registerKeywords(Keywords& keys) { PathMSDBase::registerKeywords(keys); diff --git a/src/colvar/Position.cpp b/src/colvar/Position.cpp index 2280dc8a19..9739f704c1 100644 --- a/src/colvar/Position.cpp +++ b/src/colvar/Position.cpp @@ -81,7 +81,7 @@ class Position : public Colvar { void calculate() override; }; -PLUMED_REGISTER_ACTION(Position,POSITION) +PLUMED_REGISTER_ACTION(Position,"POSITION") void Position::registerKeywords( Keywords& keys ) { Colvar::registerKeywords( keys ); diff --git a/src/colvar/ProjectionOnAxis.cpp b/src/colvar/ProjectionOnAxis.cpp index f7b672f5dc..705d18c8a8 100644 --- a/src/colvar/ProjectionOnAxis.cpp +++ b/src/colvar/ProjectionOnAxis.cpp @@ -76,7 +76,7 @@ class ProjectionOnAxis : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(ProjectionOnAxis,PROJECTION_ON_AXIS) +PLUMED_REGISTER_ACTION(ProjectionOnAxis,"PROJECTION_ON_AXIS") void ProjectionOnAxis::registerKeywords( Keywords& keys ) { Colvar::registerKeywords(keys); diff --git a/src/colvar/PropertyMap.cpp b/src/colvar/PropertyMap.cpp index 4584549d2f..2c6bde5d7b 100644 --- a/src/colvar/PropertyMap.cpp +++ b/src/colvar/PropertyMap.cpp @@ -94,7 +94,7 @@ class PropertyMap : public PathMSDBase { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(PropertyMap,PROPERTYMAP) +PLUMED_REGISTER_ACTION(PropertyMap,"PROPERTYMAP") void PropertyMap::registerKeywords(Keywords& keys) { PathMSDBase::registerKeywords(keys); diff --git a/src/colvar/Puckering.cpp b/src/colvar/Puckering.cpp index 9c52fecdc0..58ee4cf955 100644 --- a/src/colvar/Puckering.cpp +++ b/src/colvar/Puckering.cpp @@ -78,7 +78,7 @@ class Puckering : public Colvar { void calculate6m(); }; -PLUMED_REGISTER_ACTION(Puckering,PUCKERING) +PLUMED_REGISTER_ACTION(Puckering,"PUCKERING") void Puckering::registerKeywords(Keywords& keys) { Colvar::registerKeywords( keys ); diff --git a/src/colvar/RMSD.cpp b/src/colvar/RMSD.cpp index 5496f40f16..5aa710a5d4 100644 --- a/src/colvar/RMSD.cpp +++ b/src/colvar/RMSD.cpp @@ -159,7 +159,7 @@ END */ //+ENDPLUMEDOC -PLUMED_REGISTER_ACTION(RMSD,RMSD) +PLUMED_REGISTER_ACTION(RMSD,"RMSD") void RMSD::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/Template.cpp b/src/colvar/Template.cpp index b0cd4b5e80..67210fbcf6 100644 --- a/src/colvar/Template.cpp +++ b/src/colvar/Template.cpp @@ -56,7 +56,7 @@ class Template : public Colvar { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(Template,TEMPLATE) +PLUMED_REGISTER_ACTION(Template,"TEMPLATE") void Template::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/colvar/Torsion.cpp b/src/colvar/Torsion.cpp index c1fa5c6dfc..955c5eb5ae 100644 --- a/src/colvar/Torsion.cpp +++ b/src/colvar/Torsion.cpp @@ -97,7 +97,7 @@ class Torsion : public Colvar { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(Torsion,TORSION) +PLUMED_REGISTER_ACTION(Torsion,"TORSION") void Torsion::registerKeywords(Keywords& keys) { Colvar::registerKeywords( keys ); diff --git a/src/colvar/Volume.cpp b/src/colvar/Volume.cpp index 3b905c9d02..9da5e497ac 100644 --- a/src/colvar/Volume.cpp +++ b/src/colvar/Volume.cpp @@ -51,7 +51,7 @@ class Volume : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Volume,VOLUME) +PLUMED_REGISTER_ACTION(Volume,"VOLUME") Volume::Volume(const ActionOptions&ao): PLUMED_COLVAR_INIT(ao) diff --git a/src/core/ActionRegister.h b/src/core/ActionRegister.h index b1ff11c924..1d806ca1ca 100644 --- a/src/core/ActionRegister.h +++ b/src/core/ActionRegister.h @@ -29,7 +29,7 @@ #include "tools/Keywords.h" #include -namespace PLMD { //{ +namespace PLMD { class Action; class ActionOptions; @@ -114,6 +114,9 @@ class ActionRegistration { ~ActionRegistration() {actionRegister().remove(create);} }; +#define PLUMED_CONCATENATE_DIRECT(s1, s2) s1##s2 +#define PLUMED_CONCATENATE(s1, s2) PLUMED_CONCATENATE_DIRECT(s1, s2) + /// Shortcut for Action registration /// \relates PLMD::ActionRegister /// For easier registration, this file also provides a macro PLUMED_REGISTER_ACTION. @@ -121,8 +124,8 @@ class ActionRegistration { /// \param directive a name of the corresponding directive, do not use a string, the macro will convert it to a string /// This macro should be used in the .cpp file of the corresponding class #define PLUMED_REGISTER_ACTION(classname,directive) \ - namespace {ActionRegistration classname##Registerer##__LINE__(directive);} + namespace {::PLMD::ActionRegistration PLUMED_CONCATENATE(classname##Registerer,__LINE__)(directive);} -} //PLMD /} +} //PLMD #endif diff --git a/src/crystallization/BondOrientation.cpp b/src/crystallization/BondOrientation.cpp index 4e61a89aeb..9dc9d7b91a 100644 --- a/src/crystallization/BondOrientation.cpp +++ b/src/crystallization/BondOrientation.cpp @@ -47,7 +47,7 @@ class BondOrientation : public VectorMultiColvar { void calculateVector( multicolvar::AtomValuePack& myatoms ) const override; }; -PLUMED_REGISTER_ACTION(BondOrientation,BOND_DIRECTIONS) +PLUMED_REGISTER_ACTION(BondOrientation,"BOND_DIRECTIONS") void BondOrientation::registerKeywords( Keywords& keys ) { VectorMultiColvar::registerKeywords( keys ); diff --git a/src/crystallization/EnvironmentSimilarity.cpp b/src/crystallization/EnvironmentSimilarity.cpp index a31e63479b..695eb45bc8 100644 --- a/src/crystallization/EnvironmentSimilarity.cpp +++ b/src/crystallization/EnvironmentSimilarity.cpp @@ -214,7 +214,7 @@ class EnvironmentSimilarity : public multicolvar::MultiColvarBase { void parseReferenceEnvironments( std::vector>& environments, std::vector>& environmentsAtomNames, double& max_dist); }; -PLUMED_REGISTER_ACTION(EnvironmentSimilarity,ENVIRONMENTSIMILARITY) +PLUMED_REGISTER_ACTION(EnvironmentSimilarity,"ENVIRONMENTSIMILARITY") void EnvironmentSimilarity::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/crystallization/Fccubic.cpp b/src/crystallization/Fccubic.cpp index c5e148f75d..8763087087 100644 --- a/src/crystallization/Fccubic.cpp +++ b/src/crystallization/Fccubic.cpp @@ -81,7 +81,7 @@ class Fccubic : public CubicHarmonicBase { double calculateCubicHarmonic( const Vector& distance, const double& d2, Vector& myder ) const override; }; -PLUMED_REGISTER_ACTION(Fccubic,FCCUBIC) +PLUMED_REGISTER_ACTION(Fccubic,"FCCUBIC") void Fccubic::registerKeywords( Keywords& keys ) { CubicHarmonicBase::registerKeywords( keys ); diff --git a/src/crystallization/Gradient.cpp b/src/crystallization/Gradient.cpp index 19be115bad..22ff2c7739 100644 --- a/src/crystallization/Gradient.cpp +++ b/src/crystallization/Gradient.cpp @@ -59,7 +59,7 @@ PRINT ARG=s2 FILE=colvar */ //+ENDPLUMEDOC -PLUMED_REGISTER_ACTION(Gradient,GRADIENT) +PLUMED_REGISTER_ACTION(Gradient,"GRADIENT") void Gradient::registerKeywords( Keywords& keys ) { VolumeGradientBase::registerKeywords( keys ); diff --git a/src/crystallization/InterMolecularTorsions.cpp b/src/crystallization/InterMolecularTorsions.cpp index 26bdda6c07..d8be698945 100644 --- a/src/crystallization/InterMolecularTorsions.cpp +++ b/src/crystallization/InterMolecularTorsions.cpp @@ -93,7 +93,7 @@ class InterMolecularTorsions : public multicolvar::MultiColvarBase { void retrieveDomain( std::string& min, std::string& max ) { min="-pi"; max="+pi"; } }; -PLUMED_REGISTER_ACTION(InterMolecularTorsions,INTERMOLECULARTORSIONS) +PLUMED_REGISTER_ACTION(InterMolecularTorsions,"INTERMOLECULARTORSIONS") void InterMolecularTorsions::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/crystallization/MoleculeOrientation.cpp b/src/crystallization/MoleculeOrientation.cpp index 18f9c8aafc..4860a4bec9 100644 --- a/src/crystallization/MoleculeOrientation.cpp +++ b/src/crystallization/MoleculeOrientation.cpp @@ -61,7 +61,7 @@ class MoleculeOrientation : public VectorMultiColvar { void normalizeVectorDerivatives( MultiValue& myvals ) const override; }; -PLUMED_REGISTER_ACTION(MoleculeOrientation,MOLECULES) +PLUMED_REGISTER_ACTION(MoleculeOrientation,"MOLECULES") void MoleculeOrientation::registerKeywords( Keywords& keys ) { VectorMultiColvar::registerKeywords( keys ); keys.use("MEAN"); keys.use("VMEAN"); diff --git a/src/crystallization/MoleculePlane.cpp b/src/crystallization/MoleculePlane.cpp index 0bb9ec59b7..bf50e5846c 100644 --- a/src/crystallization/MoleculePlane.cpp +++ b/src/crystallization/MoleculePlane.cpp @@ -45,7 +45,7 @@ class MoleculePlane : public VectorMultiColvar { void calculateVector( multicolvar::AtomValuePack& myatoms ) const override; }; -PLUMED_REGISTER_ACTION(MoleculePlane,PLANES) +PLUMED_REGISTER_ACTION(MoleculePlane,"PLANES") void MoleculePlane::registerKeywords( Keywords& keys ) { VectorMultiColvar::registerKeywords( keys ); keys.use("VMEAN"); diff --git a/src/crystallization/PolymerAngles.cpp b/src/crystallization/PolymerAngles.cpp index de6d2db532..b11e90309b 100644 --- a/src/crystallization/PolymerAngles.cpp +++ b/src/crystallization/PolymerAngles.cpp @@ -73,7 +73,7 @@ class PolymerAngles : public OrientationSphere { Vector& dconn, std::vector& dvec1, std::vector& dvec2 ) const override; }; -PLUMED_REGISTER_ACTION(PolymerAngles,POLYMER_ANGLES) +PLUMED_REGISTER_ACTION(PolymerAngles,"POLYMER_ANGLES") void PolymerAngles::registerKeywords( Keywords& keys ) { OrientationSphere::registerKeywords(keys); diff --git a/src/crystallization/Q3.cpp b/src/crystallization/Q3.cpp index 3a6e4ec2e2..abe32aeaa1 100644 --- a/src/crystallization/Q3.cpp +++ b/src/crystallization/Q3.cpp @@ -184,9 +184,9 @@ class Q3 : public Steinhardt { explicit Q3( const ActionOptions& ao ); }; -PLUMED_REGISTER_ACTION(Q3,Q3) +PLUMED_REGISTER_ACTION(Q3,"Q3") typedef LocalSteinhardt LOCAL_Q3; -PLUMED_REGISTER_ACTION(LOCAL_Q3,LOCAL_Q3) +PLUMED_REGISTER_ACTION(LOCAL_Q3,"LOCAL_Q3") void Q3::registerKeywords( Keywords& keys ) { Steinhardt::registerKeywords( keys ); diff --git a/src/crystallization/Q4.cpp b/src/crystallization/Q4.cpp index cf4e3ae802..2906511fd2 100644 --- a/src/crystallization/Q4.cpp +++ b/src/crystallization/Q4.cpp @@ -183,9 +183,9 @@ class Q4 : public Steinhardt { explicit Q4( const ActionOptions& ao ); }; -PLUMED_REGISTER_ACTION(Q4,Q4) +PLUMED_REGISTER_ACTION(Q4,"Q4") typedef LocalSteinhardt LOCAL_Q4; -PLUMED_REGISTER_ACTION(LOCAL_Q4,LOCAL_Q4) +PLUMED_REGISTER_ACTION(LOCAL_Q4,"LOCAL_Q4") void Q4::registerKeywords( Keywords& keys ) { Steinhardt::registerKeywords( keys ); diff --git a/src/crystallization/Q6.cpp b/src/crystallization/Q6.cpp index fbc24b32aa..ca16d93e1f 100644 --- a/src/crystallization/Q6.cpp +++ b/src/crystallization/Q6.cpp @@ -183,9 +183,9 @@ class Q6 : public Steinhardt { explicit Q6( const ActionOptions& ao ); }; -PLUMED_REGISTER_ACTION(Q6,Q6) +PLUMED_REGISTER_ACTION(Q6,"Q6") typedef LocalSteinhardt LOCAL_Q6; -PLUMED_REGISTER_ACTION(LOCAL_Q6,LOCAL_Q6) +PLUMED_REGISTER_ACTION(LOCAL_Q6,"LOCAL_Q6") void Q6::registerKeywords( Keywords& keys ) { Steinhardt::registerKeywords( keys ); diff --git a/src/crystallization/SMAC.cpp b/src/crystallization/SMAC.cpp index ac9f0ec3c8..936956d5b7 100644 --- a/src/crystallization/SMAC.cpp +++ b/src/crystallization/SMAC.cpp @@ -136,7 +136,7 @@ class SMAC : public OrientationSphere { double calculateCoordinationPrefactor( const double& coord, double& df ) const override; }; -PLUMED_REGISTER_ACTION(SMAC,SMAC) +PLUMED_REGISTER_ACTION(SMAC,"SMAC") void SMAC::registerKeywords( Keywords& keys ) { OrientationSphere::registerKeywords(keys); diff --git a/src/crystallization/SimpleCubic.cpp b/src/crystallization/SimpleCubic.cpp index 9e7ed255b3..82a60f46ea 100644 --- a/src/crystallization/SimpleCubic.cpp +++ b/src/crystallization/SimpleCubic.cpp @@ -75,7 +75,7 @@ class SimpleCubic : public CubicHarmonicBase { double calculateCubicHarmonic( const Vector& distance, const double& d2, Vector& myder ) const override; }; -PLUMED_REGISTER_ACTION(SimpleCubic,SIMPLECUBIC) +PLUMED_REGISTER_ACTION(SimpleCubic,"SIMPLECUBIC") void SimpleCubic::registerKeywords( Keywords& keys ) { CubicHarmonicBase::registerKeywords( keys ); diff --git a/src/crystallization/Tetrahedral.cpp b/src/crystallization/Tetrahedral.cpp index 3a05ad9352..feae93bfd6 100644 --- a/src/crystallization/Tetrahedral.cpp +++ b/src/crystallization/Tetrahedral.cpp @@ -80,7 +80,7 @@ class Tetrahedral : public CubicHarmonicBase { double calculateCubicHarmonic( const Vector& distance, const double& d2, Vector& myder ) const override; }; -PLUMED_REGISTER_ACTION(Tetrahedral,TETRAHEDRAL) +PLUMED_REGISTER_ACTION(Tetrahedral,"TETRAHEDRAL") void Tetrahedral::registerKeywords( Keywords& keys ) { CubicHarmonicBase::registerKeywords( keys ); diff --git a/src/dimred/ClassicalMultiDimensionalScaling.cpp b/src/dimred/ClassicalMultiDimensionalScaling.cpp index d00793cd11..0135ae811e 100644 --- a/src/dimred/ClassicalMultiDimensionalScaling.cpp +++ b/src/dimred/ClassicalMultiDimensionalScaling.cpp @@ -166,7 +166,7 @@ class ClassicalMultiDimensionalScaling : public DimensionalityReductionBase { void calculateProjections( const Matrix&, Matrix& ) override; }; -PLUMED_REGISTER_ACTION(ClassicalMultiDimensionalScaling,CLASSICAL_MDS) +PLUMED_REGISTER_ACTION(ClassicalMultiDimensionalScaling,"CLASSICAL_MDS") void ClassicalMultiDimensionalScaling::registerKeywords( Keywords& keys ) { DimensionalityReductionBase::registerKeywords( keys ); diff --git a/src/dimred/OutputPCAProjections.cpp b/src/dimred/OutputPCAProjections.cpp index eb65593a2f..7b8caf60b7 100644 --- a/src/dimred/OutputPCAProjections.cpp +++ b/src/dimred/OutputPCAProjections.cpp @@ -55,7 +55,7 @@ class OutputPCAProjection : public analysis::AnalysisBase { void performAnalysis(); }; -PLUMED_REGISTER_ACTION(OutputPCAProjection,OUTPUT_PCA_PROJECTION) +PLUMED_REGISTER_ACTION(OutputPCAProjection,"OUTPUT_PCA_PROJECTION") void OutputPCAProjection::registerKeywords( Keywords& keys ) { analysis::AnalysisBase::registerKeywords( keys ); diff --git a/src/dimred/PCA.cpp b/src/dimred/PCA.cpp index 5c16ae8d00..d7bcf24191 100644 --- a/src/dimred/PCA.cpp +++ b/src/dimred/PCA.cpp @@ -97,7 +97,7 @@ OUTPUT_PCA_PROJECTION USE_OUTPUT_DATA_FROM=pca STRIDE=100 FILE=PCA-comp.pdb namespace PLMD { namespace dimred { -PLUMED_REGISTER_ACTION(PCA,PCA) +PLUMED_REGISTER_ACTION(PCA,"PCA") void PCA::registerKeywords( Keywords& keys ) { DimensionalityReductionBase::registerKeywords( keys ); keys.use("ARG"); keys.reset_style("ARG","optional"); diff --git a/src/dimred/ProjectNonLandmarkPoints.cpp b/src/dimred/ProjectNonLandmarkPoints.cpp index 8525f84950..4c71fa42a3 100644 --- a/src/dimred/ProjectNonLandmarkPoints.cpp +++ b/src/dimred/ProjectNonLandmarkPoints.cpp @@ -66,7 +66,7 @@ class ProjectNonLandmarkPoints : public analysis::AnalysisBase { void performTask( const unsigned&, const unsigned&, MultiValue& ) const { plumed_error(); } }; -PLUMED_REGISTER_ACTION(ProjectNonLandmarkPoints,PROJECT_ALL_ANALYSIS_DATA) +PLUMED_REGISTER_ACTION(ProjectNonLandmarkPoints,"PROJECT_ALL_ANALYSIS_DATA") void ProjectNonLandmarkPoints::registerKeywords( Keywords& keys ) { analysis::AnalysisBase::registerKeywords( keys ); diff --git a/src/dimred/SketchMap.cpp b/src/dimred/SketchMap.cpp index b206c20722..cd8cfeb181 100644 --- a/src/dimred/SketchMap.cpp +++ b/src/dimred/SketchMap.cpp @@ -40,7 +40,7 @@ class SketchMap : public ActionShortcut { explicit SketchMap( const ActionOptions& ); }; -PLUMED_REGISTER_ACTION(SketchMap,SKETCH_MAP) +PLUMED_REGISTER_ACTION(SketchMap,"SKETCH_MAP") void SketchMap::registerKeywords( Keywords& keys ) { ActionShortcut::registerKeywords( keys ); diff --git a/src/dimred/SketchMapConjGrad.cpp b/src/dimred/SketchMapConjGrad.cpp index 0b1a405528..b336e49f1a 100644 --- a/src/dimred/SketchMapConjGrad.cpp +++ b/src/dimred/SketchMapConjGrad.cpp @@ -44,7 +44,7 @@ class SketchMapConjGrad : public SketchMapBase { void minimise( Matrix& ) override; }; -PLUMED_REGISTER_ACTION(SketchMapConjGrad,SKETCHMAP_CONJGRAD) +PLUMED_REGISTER_ACTION(SketchMapConjGrad,"SKETCHMAP_CONJGRAD") void SketchMapConjGrad::registerKeywords( Keywords& keys ) { SketchMapBase::registerKeywords( keys ); diff --git a/src/dimred/SketchMapPointwise.cpp b/src/dimred/SketchMapPointwise.cpp index 3c734b9607..3cc80639d2 100644 --- a/src/dimred/SketchMapPointwise.cpp +++ b/src/dimred/SketchMapPointwise.cpp @@ -47,7 +47,7 @@ class SketchMapPointwise : public SketchMapBase { void minimise( Matrix& ) override; }; -PLUMED_REGISTER_ACTION(SketchMapPointwise,SKETCHMAP_POINTWISE) +PLUMED_REGISTER_ACTION(SketchMapPointwise,"SKETCHMAP_POINTWISE") void SketchMapPointwise::registerKeywords( Keywords& keys ) { SketchMapBase::registerKeywords( keys ); diff --git a/src/dimred/SketchMapRead.cpp b/src/dimred/SketchMapRead.cpp index 89360d33e9..91ef050ce2 100644 --- a/src/dimred/SketchMapRead.cpp +++ b/src/dimred/SketchMapRead.cpp @@ -63,7 +63,7 @@ class SketchMapRead : public SketchMapBase { double getWeight( const unsigned& idata ) override; }; -PLUMED_REGISTER_ACTION(SketchMapRead,SKETCHMAP_READ) +PLUMED_REGISTER_ACTION(SketchMapRead,"SKETCHMAP_READ") void SketchMapRead::registerKeywords( Keywords& keys ) { SketchMapBase::registerKeywords( keys ); keys.remove("USE_OUTPUT_DATA_FROM"); diff --git a/src/dimred/SketchMapSmacof.cpp b/src/dimred/SketchMapSmacof.cpp index e193c9978a..0fc67ad869 100644 --- a/src/dimred/SketchMapSmacof.cpp +++ b/src/dimred/SketchMapSmacof.cpp @@ -46,7 +46,7 @@ class SketchMapSmacof : public SketchMapBase { void minimise( Matrix& ) override; }; -PLUMED_REGISTER_ACTION(SketchMapSmacof,SKETCHMAP_SMACOF) +PLUMED_REGISTER_ACTION(SketchMapSmacof,"SKETCHMAP_SMACOF") void SketchMapSmacof::registerKeywords( Keywords& keys ) { SketchMapBase::registerKeywords( keys ); diff --git a/src/dimred/SmacoffMDS.cpp b/src/dimred/SmacoffMDS.cpp index 7c53777fd8..1a10403a1e 100644 --- a/src/dimred/SmacoffMDS.cpp +++ b/src/dimred/SmacoffMDS.cpp @@ -45,7 +45,7 @@ class SmacofMDS : public DimensionalityReductionBase { void calculateProjections( const Matrix&, Matrix& ) override; }; -PLUMED_REGISTER_ACTION(SmacofMDS,SMACOF_MDS) +PLUMED_REGISTER_ACTION(SmacofMDS,"SMACOF_MDS") void SmacofMDS::registerKeywords( Keywords& keys ) { DimensionalityReductionBase::registerKeywords( keys ); diff --git a/src/drr/DynamicReferenceRestraining.cpp b/src/drr/DynamicReferenceRestraining.cpp index f8378ad60a..86a833fa65 100644 --- a/src/drr/DynamicReferenceRestraining.cpp +++ b/src/drr/DynamicReferenceRestraining.cpp @@ -242,7 +242,7 @@ class DynamicReferenceRestraining : public Bias { bool is_file_exist(const char *fileName); }; -PLUMED_REGISTER_ACTION(DynamicReferenceRestraining, DRR) +PLUMED_REGISTER_ACTION(DynamicReferenceRestraining, "DRR") void DynamicReferenceRestraining::registerKeywords(Keywords &keys) { Bias::registerKeywords(keys); diff --git a/src/eds/EDS.cpp b/src/eds/EDS.cpp index fd6f0c01eb..bce50b375b 100644 --- a/src/eds/EDS.cpp +++ b/src/eds/EDS.cpp @@ -277,7 +277,7 @@ class EDS : public Bias ~EDS(); }; -PLUMED_REGISTER_ACTION(EDS, EDS) +PLUMED_REGISTER_ACTION(EDS, "EDS") void EDS::registerKeywords(Keywords &keys) { diff --git a/src/fisst/FISST.cpp b/src/fisst/FISST.cpp index dc2d576ec7..70bcfd124f 100644 --- a/src/fisst/FISST.cpp +++ b/src/fisst/FISST.cpp @@ -164,7 +164,7 @@ class FISST : public Bias { ~FISST(); }; -PLUMED_REGISTER_ACTION(FISST,FISST) +PLUMED_REGISTER_ACTION(FISST,"FISST") void FISST::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/function/Combine.cpp b/src/function/Combine.cpp index 0eb4bebca9..f0cb547907 100644 --- a/src/function/Combine.cpp +++ b/src/function/Combine.cpp @@ -87,7 +87,7 @@ class Combine : }; -PLUMED_REGISTER_ACTION(Combine,COMBINE) +PLUMED_REGISTER_ACTION(Combine,"COMBINE") void Combine::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/Custom.cpp b/src/function/Custom.cpp index 63c31f5243..d6ec8ba108 100644 --- a/src/function/Custom.cpp +++ b/src/function/Custom.cpp @@ -176,7 +176,7 @@ class Custom : static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(Custom,CUSTOM) +PLUMED_REGISTER_ACTION(Custom,"CUSTOM") //+PLUMEDOC FUNCTION MATHEVAL /* @@ -206,7 +206,7 @@ class Matheval : public Custom { }; -PLUMED_REGISTER_ACTION(Custom,MATHEVAL) +PLUMED_REGISTER_ACTION(Custom,"MATHEVAL") void Custom::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/Ensemble.cpp b/src/function/Ensemble.cpp index 0f254fd5c3..3f3089ad40 100644 --- a/src/function/Ensemble.cpp +++ b/src/function/Ensemble.cpp @@ -68,7 +68,7 @@ class Ensemble : }; -PLUMED_REGISTER_ACTION(Ensemble,ENSEMBLE) +PLUMED_REGISTER_ACTION(Ensemble,"ENSEMBLE") void Ensemble::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/FuncPathGeneral.cpp b/src/function/FuncPathGeneral.cpp index 1808741828..34620a9ced 100644 --- a/src/function/FuncPathGeneral.cpp +++ b/src/function/FuncPathGeneral.cpp @@ -123,7 +123,7 @@ class FuncPathGeneral : public Function { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(FuncPathGeneral, FUNCPATHGENERAL) +PLUMED_REGISTER_ACTION(FuncPathGeneral, "FUNCPATHGENERAL") void FuncPathGeneral::loadReference() { IFile input; diff --git a/src/function/FuncPathMSD.cpp b/src/function/FuncPathMSD.cpp index af5b71b0c3..901fd1d869 100644 --- a/src/function/FuncPathMSD.cpp +++ b/src/function/FuncPathMSD.cpp @@ -215,7 +215,7 @@ class FuncPathMSD : public Function { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(FuncPathMSD,FUNCPATHMSD) +PLUMED_REGISTER_ACTION(FuncPathMSD,"FUNCPATHMSD") void FuncPathMSD::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/FuncSumHills.cpp b/src/function/FuncSumHills.cpp index d5b1491bac..e45e84b27e 100644 --- a/src/function/FuncSumHills.cpp +++ b/src/function/FuncSumHills.cpp @@ -196,7 +196,7 @@ class FuncSumHills : static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(FuncSumHills,FUNCSUMHILLS) +PLUMED_REGISTER_ACTION(FuncSumHills,"FUNCSUMHILLS") void FuncSumHills::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/LocalEnsemble.cpp b/src/function/LocalEnsemble.cpp index e41af9cf75..2aa79547c6 100644 --- a/src/function/LocalEnsemble.cpp +++ b/src/function/LocalEnsemble.cpp @@ -85,7 +85,7 @@ class LocalEnsemble : }; -PLUMED_REGISTER_ACTION(LocalEnsemble,LOCALENSEMBLE) +PLUMED_REGISTER_ACTION(LocalEnsemble,"LOCALENSEMBLE") void LocalEnsemble::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/Piecewise.cpp b/src/function/Piecewise.cpp index 4d734f28e4..16c2330af6 100644 --- a/src/function/Piecewise.cpp +++ b/src/function/Piecewise.cpp @@ -76,7 +76,7 @@ class Piecewise : }; -PLUMED_REGISTER_ACTION(Piecewise,PIECEWISE) +PLUMED_REGISTER_ACTION(Piecewise,"PIECEWISE") void Piecewise::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/Sort.cpp b/src/function/Sort.cpp index 08994914d0..ca92ff2ec6 100644 --- a/src/function/Sort.cpp +++ b/src/function/Sort.cpp @@ -61,7 +61,7 @@ class Sort : }; -PLUMED_REGISTER_ACTION(Sort,SORT) +PLUMED_REGISTER_ACTION(Sort,"SORT") void Sort::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/Stats.cpp b/src/function/Stats.cpp index dd9f57a13c..11dc0f2fa3 100644 --- a/src/function/Stats.cpp +++ b/src/function/Stats.cpp @@ -67,7 +67,7 @@ class Stats : }; -PLUMED_REGISTER_ACTION(Stats,STATS) +PLUMED_REGISTER_ACTION(Stats,"STATS") void Stats::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/function/Target.cpp b/src/function/Target.cpp index a3e5e4e067..7d5985f18b 100644 --- a/src/function/Target.cpp +++ b/src/function/Target.cpp @@ -105,7 +105,7 @@ class Target : public Function { static void registerKeywords(Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Target,TARGET) +PLUMED_REGISTER_ACTION(Target,"TARGET") void Target::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/funnel/FPS.cpp b/src/funnel/FPS.cpp index c7ff265b56..90c93e1606 100644 --- a/src/funnel/FPS.cpp +++ b/src/funnel/FPS.cpp @@ -115,7 +115,7 @@ class FUNNEL_PS : public Colvar { using namespace std; -PLUMED_REGISTER_ACTION(FUNNEL_PS,FUNNEL_PS) +PLUMED_REGISTER_ACTION(FUNNEL_PS,"FUNNEL_PS") void FUNNEL_PS::registerKeywords(Keywords& keys) { Colvar::registerKeywords( keys ); diff --git a/src/funnel/Funnel.cpp b/src/funnel/Funnel.cpp index 4b25c8aff1..bb696f88a3 100644 --- a/src/funnel/Funnel.cpp +++ b/src/funnel/Funnel.cpp @@ -140,7 +140,7 @@ class Funnel : public Bias { // const string& funcl); }; -PLUMED_REGISTER_ACTION(Funnel,FUNNEL) +PLUMED_REGISTER_ACTION(Funnel,"FUNNEL") void Funnel::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/generic/Debug.cpp b/src/generic/Debug.cpp index 7e4e35f1d9..e7fe458ef8 100644 --- a/src/generic/Debug.cpp +++ b/src/generic/Debug.cpp @@ -60,7 +60,7 @@ class Debug: void apply() override; }; -PLUMED_REGISTER_ACTION(Debug,DEBUG) +PLUMED_REGISTER_ACTION(Debug,"DEBUG") void Debug::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/DumpAtoms.cpp b/src/generic/DumpAtoms.cpp index 80ed208b3c..12eeb27be4 100644 --- a/src/generic/DumpAtoms.cpp +++ b/src/generic/DumpAtoms.cpp @@ -140,7 +140,7 @@ class DumpAtoms: void update() override ; }; -PLUMED_REGISTER_ACTION(DumpAtoms,DUMPATOMS) +PLUMED_REGISTER_ACTION(DumpAtoms,"DUMPATOMS") void DumpAtoms::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/DumpDerivatives.cpp b/src/generic/DumpDerivatives.cpp index 768cfb679a..77ae26e9f6 100644 --- a/src/generic/DumpDerivatives.cpp +++ b/src/generic/DumpDerivatives.cpp @@ -68,7 +68,7 @@ class DumpDerivatives : ~DumpDerivatives(); }; -PLUMED_REGISTER_ACTION(DumpDerivatives,DUMPDERIVATIVES) +PLUMED_REGISTER_ACTION(DumpDerivatives,"DUMPDERIVATIVES") void DumpDerivatives::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/generic/DumpForces.cpp b/src/generic/DumpForces.cpp index 3e5f094544..8fc1411f63 100644 --- a/src/generic/DumpForces.cpp +++ b/src/generic/DumpForces.cpp @@ -66,7 +66,7 @@ class DumpForces : ~DumpForces(); }; -PLUMED_REGISTER_ACTION(DumpForces,DUMPFORCES) +PLUMED_REGISTER_ACTION(DumpForces,"DUMPFORCES") void DumpForces::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/generic/DumpMassCharge.cpp b/src/generic/DumpMassCharge.cpp index 9e33921d15..660c44412c 100644 --- a/src/generic/DumpMassCharge.cpp +++ b/src/generic/DumpMassCharge.cpp @@ -93,7 +93,7 @@ class DumpMassCharge: void update() override; }; -PLUMED_REGISTER_ACTION(DumpMassCharge,DUMPMASSCHARGE) +PLUMED_REGISTER_ACTION(DumpMassCharge,"DUMPMASSCHARGE") void DumpMassCharge::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/DumpProjections.cpp b/src/generic/DumpProjections.cpp index 63e18b79da..87d02d7a18 100644 --- a/src/generic/DumpProjections.cpp +++ b/src/generic/DumpProjections.cpp @@ -64,7 +64,7 @@ class DumpProjections : ~DumpProjections(); }; -PLUMED_REGISTER_ACTION(DumpProjections,DUMPPROJECTIONS) +PLUMED_REGISTER_ACTION(DumpProjections,"DUMPPROJECTIONS") void DumpProjections::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/generic/EffectiveEnergyDrift.cpp b/src/generic/EffectiveEnergyDrift.cpp index 8dba8bf403..ada9b836ca 100644 --- a/src/generic/EffectiveEnergyDrift.cpp +++ b/src/generic/EffectiveEnergyDrift.cpp @@ -120,7 +120,7 @@ class EffectiveEnergyDrift: void update() override; }; -PLUMED_REGISTER_ACTION(EffectiveEnergyDrift,EFFECTIVE_ENERGY_DRIFT) +PLUMED_REGISTER_ACTION(EffectiveEnergyDrift,"EFFECTIVE_ENERGY_DRIFT") void EffectiveEnergyDrift::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/EndPlumed.cpp b/src/generic/EndPlumed.cpp index aadf4bd167..8323d34599 100644 --- a/src/generic/EndPlumed.cpp +++ b/src/generic/EndPlumed.cpp @@ -62,7 +62,7 @@ class EndPlumed: void apply() override {} }; -PLUMED_REGISTER_ACTION(EndPlumed,ENDPLUMED) +PLUMED_REGISTER_ACTION(EndPlumed,"ENDPLUMED") void EndPlumed::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/FitToTemplate.cpp b/src/generic/FitToTemplate.cpp index cfdedd9517..e7454694e7 100644 --- a/src/generic/FitToTemplate.cpp +++ b/src/generic/FitToTemplate.cpp @@ -198,7 +198,7 @@ class FitToTemplate: unsigned getNumberOfDerivatives() override {plumed_merror("You should not call this function");}; }; -PLUMED_REGISTER_ACTION(FitToTemplate,FIT_TO_TEMPLATE) +PLUMED_REGISTER_ACTION(FitToTemplate,"FIT_TO_TEMPLATE") void FitToTemplate::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/Flush.cpp b/src/generic/Flush.cpp index 2d40257c54..374ba30c8f 100644 --- a/src/generic/Flush.cpp +++ b/src/generic/Flush.cpp @@ -76,7 +76,7 @@ class Flush: } }; -PLUMED_REGISTER_ACTION(Flush,FLUSH) +PLUMED_REGISTER_ACTION(Flush,"FLUSH") void Flush::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/Group.cpp b/src/generic/Group.cpp index 5ea6c28185..32505dd994 100644 --- a/src/generic/Group.cpp +++ b/src/generic/Group.cpp @@ -140,7 +140,7 @@ class Group: void apply() override {} }; -PLUMED_REGISTER_ACTION(Group,GROUP) +PLUMED_REGISTER_ACTION(Group,"GROUP") Group::Group(const ActionOptions&ao): Action(ao), diff --git a/src/generic/Include.cpp b/src/generic/Include.cpp index c325c6e66c..f8b44ffddd 100644 --- a/src/generic/Include.cpp +++ b/src/generic/Include.cpp @@ -157,7 +157,7 @@ class Include : void apply() override {} }; -PLUMED_REGISTER_ACTION(Include,INCLUDE) +PLUMED_REGISTER_ACTION(Include,"INCLUDE") void Include::registerKeywords( Keywords& keys ) { Action::registerKeywords(keys); diff --git a/src/generic/MolInfo.cpp b/src/generic/MolInfo.cpp index e950315a68..aa5da94874 100644 --- a/src/generic/MolInfo.cpp +++ b/src/generic/MolInfo.cpp @@ -263,7 +263,7 @@ compilation will exclude it from plumed. typedef PLMD::GenericMolInfo MolInfo; -PLUMED_REGISTER_ACTION(MolInfo,MOLINFO) +PLUMED_REGISTER_ACTION(MolInfo,"MOLINFO") } } diff --git a/src/generic/Plumed.cpp b/src/generic/Plumed.cpp index a361ed5dc4..cea724a2ae 100644 --- a/src/generic/Plumed.cpp +++ b/src/generic/Plumed.cpp @@ -169,7 +169,7 @@ class Plumed: } }; -PLUMED_REGISTER_ACTION(Plumed,PLUMED) +PLUMED_REGISTER_ACTION(Plumed,"PLUMED") void Plumed::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/Print.cpp b/src/generic/Print.cpp index 4ab59e5b86..f1356646f9 100644 --- a/src/generic/Print.cpp +++ b/src/generic/Print.cpp @@ -92,7 +92,7 @@ class Print : ~Print(); }; -PLUMED_REGISTER_ACTION(Print,PRINT) +PLUMED_REGISTER_ACTION(Print,"PRINT") void Print::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/generic/RandomExchanges.cpp b/src/generic/RandomExchanges.cpp index 2bd4edc4a0..027e8e0a88 100644 --- a/src/generic/RandomExchanges.cpp +++ b/src/generic/RandomExchanges.cpp @@ -80,7 +80,7 @@ class RandomExchanges: void apply() override {} }; -PLUMED_REGISTER_ACTION(RandomExchanges,RANDOM_EXCHANGES) +PLUMED_REGISTER_ACTION(RandomExchanges,"RANDOM_EXCHANGES") void RandomExchanges::registerKeywords( Keywords& keys ) { Action::registerKeywords(keys); diff --git a/src/generic/Read.cpp b/src/generic/Read.cpp index 069cf88309..924f552367 100644 --- a/src/generic/Read.cpp +++ b/src/generic/Read.cpp @@ -105,7 +105,7 @@ class Read : void turnOnDerivatives() override; }; -PLUMED_REGISTER_ACTION(Read,READ) +PLUMED_REGISTER_ACTION(Read,"READ") void Read::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/generic/ResetCell.cpp b/src/generic/ResetCell.cpp index 10838a03fe..98b76f09b8 100644 --- a/src/generic/ResetCell.cpp +++ b/src/generic/ResetCell.cpp @@ -103,7 +103,7 @@ class ResetCell: void apply() override; }; -PLUMED_REGISTER_ACTION(ResetCell,RESET_CELL) +PLUMED_REGISTER_ACTION(ResetCell,"RESET_CELL") void ResetCell::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/Time.cpp b/src/generic/Time.cpp index c342567451..3e0811f412 100644 --- a/src/generic/Time.cpp +++ b/src/generic/Time.cpp @@ -51,7 +51,7 @@ class Time : public ActionWithValue { unsigned getNumberOfDerivatives() override { return 0; } }; -PLUMED_REGISTER_ACTION(Time,TIME) +PLUMED_REGISTER_ACTION(Time,"TIME") void Time::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/UpdateIf.cpp b/src/generic/UpdateIf.cpp index 5b22460e02..a7abb36d04 100644 --- a/src/generic/UpdateIf.cpp +++ b/src/generic/UpdateIf.cpp @@ -94,7 +94,7 @@ class UpdateIf: ~UpdateIf(); }; -PLUMED_REGISTER_ACTION(UpdateIf,UPDATE_IF) +PLUMED_REGISTER_ACTION(UpdateIf,"UPDATE_IF") void UpdateIf::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/generic/WholeMolecules.cpp b/src/generic/WholeMolecules.cpp index 1273c942f6..c7ac2a45ae 100644 --- a/src/generic/WholeMolecules.cpp +++ b/src/generic/WholeMolecules.cpp @@ -115,7 +115,7 @@ class WholeMolecules: void apply() override {} }; -PLUMED_REGISTER_ACTION(WholeMolecules,WHOLEMOLECULES) +PLUMED_REGISTER_ACTION(WholeMolecules,"WHOLEMOLECULES") void WholeMolecules::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/generic/WrapAround.cpp b/src/generic/WrapAround.cpp index f3ddebc5f9..e706e177d5 100644 --- a/src/generic/WrapAround.cpp +++ b/src/generic/WrapAround.cpp @@ -160,7 +160,7 @@ class WrapAround: void apply() override {} }; -PLUMED_REGISTER_ACTION(WrapAround,WRAPAROUND) +PLUMED_REGISTER_ACTION(WrapAround,"WRAPAROUND") void WrapAround::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/gridtools/ConvertToFES.cpp b/src/gridtools/ConvertToFES.cpp index 917243d2b5..bfc45887c3 100644 --- a/src/gridtools/ConvertToFES.cpp +++ b/src/gridtools/ConvertToFES.cpp @@ -78,7 +78,7 @@ class ConvertToFES : public ActionWithInputGrid { void runFinalJobs() override; }; -PLUMED_REGISTER_ACTION(ConvertToFES,CONVERT_TO_FES) +PLUMED_REGISTER_ACTION(ConvertToFES,"CONVERT_TO_FES") void ConvertToFES::registerKeywords( Keywords& keys ) { ActionWithInputGrid::registerKeywords( keys ); diff --git a/src/gridtools/DumpCube.cpp b/src/gridtools/DumpCube.cpp index 1f6f98bf18..071cb6414e 100644 --- a/src/gridtools/DumpCube.cpp +++ b/src/gridtools/DumpCube.cpp @@ -70,7 +70,7 @@ class DumpCube : public GridPrintingBase { void printGrid( OFile& ofile ) const override; }; -PLUMED_REGISTER_ACTION(DumpCube,DUMPCUBE) +PLUMED_REGISTER_ACTION(DumpCube,"DUMPCUBE") void DumpCube::registerKeywords( Keywords& keys ) { GridPrintingBase::registerKeywords( keys ); diff --git a/src/gridtools/DumpGrid.cpp b/src/gridtools/DumpGrid.cpp index cbe12fbaa5..3551332269 100644 --- a/src/gridtools/DumpGrid.cpp +++ b/src/gridtools/DumpGrid.cpp @@ -146,7 +146,7 @@ class DumpGrid : public GridPrintingBase { void printGrid( OFile& ofile ) const override; }; -PLUMED_REGISTER_ACTION(DumpGrid,DUMPGRID) +PLUMED_REGISTER_ACTION(DumpGrid,"DUMPGRID") void DumpGrid::registerKeywords( Keywords& keys ) { GridPrintingBase::registerKeywords( keys ); diff --git a/src/gridtools/FindContour.cpp b/src/gridtools/FindContour.cpp index e14984c418..ca74268b33 100644 --- a/src/gridtools/FindContour.cpp +++ b/src/gridtools/FindContour.cpp @@ -110,7 +110,7 @@ class FindContour : public ContourFindingBase { void finishAveraging() override; }; -PLUMED_REGISTER_ACTION(FindContour,FIND_CONTOUR) +PLUMED_REGISTER_ACTION(FindContour,"FIND_CONTOUR") void FindContour::registerKeywords( Keywords& keys ) { ContourFindingBase::registerKeywords( keys ); diff --git a/src/gridtools/FindContourSurface.cpp b/src/gridtools/FindContourSurface.cpp index 45dd7dfc9a..5726a713ae 100644 --- a/src/gridtools/FindContourSurface.cpp +++ b/src/gridtools/FindContourSurface.cpp @@ -103,7 +103,7 @@ class FindContourSurface : public ContourFindingBase { void finishAveraging() override; }; -PLUMED_REGISTER_ACTION(FindContourSurface,FIND_CONTOUR_SURFACE) +PLUMED_REGISTER_ACTION(FindContourSurface,"FIND_CONTOUR_SURFACE") void FindContourSurface::registerKeywords( Keywords& keys ) { ContourFindingBase::registerKeywords( keys ); diff --git a/src/gridtools/FindSphericalContour.cpp b/src/gridtools/FindSphericalContour.cpp index 2db261588c..5d51ca2274 100644 --- a/src/gridtools/FindSphericalContour.cpp +++ b/src/gridtools/FindSphericalContour.cpp @@ -119,7 +119,7 @@ class FindSphericalContour : public ContourFindingBase { void compute( const unsigned& current, MultiValue& myvals ) const override; }; -PLUMED_REGISTER_ACTION(FindSphericalContour,FIND_SPHERICAL_CONTOUR) +PLUMED_REGISTER_ACTION(FindSphericalContour,"FIND_SPHERICAL_CONTOUR") void FindSphericalContour::registerKeywords( Keywords& keys ) { ContourFindingBase::registerKeywords( keys ); diff --git a/src/gridtools/FourierTransform.cpp b/src/gridtools/FourierTransform.cpp index 917fce17ef..6398448191 100644 --- a/src/gridtools/FourierTransform.cpp +++ b/src/gridtools/FourierTransform.cpp @@ -84,7 +84,7 @@ class FourierTransform : public ActionWithInputGrid { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(FourierTransform,FOURIER_TRANSFORM) +PLUMED_REGISTER_ACTION(FourierTransform,"FOURIER_TRANSFORM") void FourierTransform::registerKeywords( Keywords& keys ) { ActionWithInputGrid::registerKeywords( keys ); keys.remove("BANDWIDTH"); keys.remove("KERNEL"); diff --git a/src/gridtools/GridToXYZ.cpp b/src/gridtools/GridToXYZ.cpp index 79d931f600..033f7ac68b 100644 --- a/src/gridtools/GridToXYZ.cpp +++ b/src/gridtools/GridToXYZ.cpp @@ -47,7 +47,7 @@ class GridToXYZ : public GridPrintingBase { void printGrid( OFile& ofile ) const override; }; -PLUMED_REGISTER_ACTION(GridToXYZ,GRID_TO_XYZ) +PLUMED_REGISTER_ACTION(GridToXYZ,"GRID_TO_XYZ") void GridToXYZ::registerKeywords( Keywords& keys ) { GridPrintingBase::registerKeywords( keys ); diff --git a/src/gridtools/IntegrateGrid.cpp b/src/gridtools/IntegrateGrid.cpp index 8a34a4bfd5..e3abba97c2 100644 --- a/src/gridtools/IntegrateGrid.cpp +++ b/src/gridtools/IntegrateGrid.cpp @@ -41,7 +41,7 @@ class IntegrateGrid : public ActionWithIntegral { void compute( const unsigned& current, MultiValue& myvals ) const override; }; -PLUMED_REGISTER_ACTION(IntegrateGrid,INTEGRATE_GRID) +PLUMED_REGISTER_ACTION(IntegrateGrid,"INTEGRATE_GRID") void IntegrateGrid::registerKeywords( Keywords& keys ) { ActionWithIntegral::registerKeywords( keys ); diff --git a/src/gridtools/InterpolateGrid.cpp b/src/gridtools/InterpolateGrid.cpp index bef08cd360..e0335b53ba 100644 --- a/src/gridtools/InterpolateGrid.cpp +++ b/src/gridtools/InterpolateGrid.cpp @@ -59,7 +59,7 @@ class InterpolateGrid : public ActionWithInputGrid { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(InterpolateGrid,INTERPOLATE_GRID) +PLUMED_REGISTER_ACTION(InterpolateGrid,"INTERPOLATE_GRID") void InterpolateGrid::registerKeywords( Keywords& keys ) { ActionWithInputGrid::registerKeywords( keys ); diff --git a/src/isdb/CS2Backbone.cpp b/src/isdb/CS2Backbone.cpp index 6079a531c2..f6e40be6b2 100644 --- a/src/isdb/CS2Backbone.cpp +++ b/src/isdb/CS2Backbone.cpp @@ -495,7 +495,7 @@ class CS2Backbone : public MetainferenceBase { void update() override; }; -PLUMED_REGISTER_ACTION(CS2Backbone,CS2BACKBONE) +PLUMED_REGISTER_ACTION(CS2Backbone,"CS2BACKBONE") void CS2Backbone::registerKeywords( Keywords& keys ) { componentsAreNotOptional(keys); diff --git a/src/isdb/Caliber.cpp b/src/isdb/Caliber.cpp index 02a0b37946..e6e78c3331 100644 --- a/src/isdb/Caliber.cpp +++ b/src/isdb/Caliber.cpp @@ -120,7 +120,7 @@ class Caliber : public bias::Bias { void do_regression_zero(const std::vector &mean); }; -PLUMED_REGISTER_ACTION(Caliber,CALIBER) +PLUMED_REGISTER_ACTION(Caliber,"CALIBER") void Caliber::registerKeywords( Keywords& keys ) { Bias::registerKeywords(keys); diff --git a/src/isdb/EMMI.cpp b/src/isdb/EMMI.cpp index 825ae23b62..a88d94caf2 100644 --- a/src/isdb/EMMI.cpp +++ b/src/isdb/EMMI.cpp @@ -381,7 +381,7 @@ void EMMI::setBoxDerivatives(Value* v,const Tensor&d) { v->addDerivative(noa+3*nat+8,d(2,2)); } -PLUMED_REGISTER_ACTION(EMMI,EMMI) +PLUMED_REGISTER_ACTION(EMMI,"EMMI") void EMMI::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/isdb/FretEfficiency.cpp b/src/isdb/FretEfficiency.cpp index 02d8821e52..19c24ca2a5 100644 --- a/src/isdb/FretEfficiency.cpp +++ b/src/isdb/FretEfficiency.cpp @@ -90,7 +90,7 @@ class FretEfficiency : public Colvar { void calculate() override; }; -PLUMED_REGISTER_ACTION(FretEfficiency,FRET) +PLUMED_REGISTER_ACTION(FretEfficiency,"FRET") void FretEfficiency::registerKeywords( Keywords& keys ) { Colvar::registerKeywords( keys ); diff --git a/src/isdb/Jcoupling.cpp b/src/isdb/Jcoupling.cpp index fd31917a1f..b1eec976ba 100644 --- a/src/isdb/Jcoupling.cpp +++ b/src/isdb/Jcoupling.cpp @@ -103,7 +103,7 @@ class JCoupling : void update() override; }; -PLUMED_REGISTER_ACTION(JCoupling, JCOUPLING) +PLUMED_REGISTER_ACTION(JCoupling, "JCOUPLING") void JCoupling::registerKeywords(Keywords& keys) { componentsAreNotOptional(keys); diff --git a/src/isdb/Metainference.cpp b/src/isdb/Metainference.cpp index 459f30f9ac..c9b81317d8 100644 --- a/src/isdb/Metainference.cpp +++ b/src/isdb/Metainference.cpp @@ -282,7 +282,7 @@ class Metainference : public bias::Bias }; -PLUMED_REGISTER_ACTION(Metainference,METAINFERENCE) +PLUMED_REGISTER_ACTION(Metainference,"METAINFERENCE") void Metainference::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/isdb/NOE.cpp b/src/isdb/NOE.cpp index c017b5d8f4..99bc98ac87 100644 --- a/src/isdb/NOE.cpp +++ b/src/isdb/NOE.cpp @@ -79,7 +79,7 @@ class NOE : void update() override; }; -PLUMED_REGISTER_ACTION(NOE,NOE) +PLUMED_REGISTER_ACTION(NOE,"NOE") void NOE::registerKeywords( Keywords& keys ) { componentsAreNotOptional(keys); diff --git a/src/isdb/PRE.cpp b/src/isdb/PRE.cpp index 4e3f8e3452..c26c62043c 100644 --- a/src/isdb/PRE.cpp +++ b/src/isdb/PRE.cpp @@ -86,7 +86,7 @@ class PRE : void update() override; }; -PLUMED_REGISTER_ACTION(PRE,PRE) +PLUMED_REGISTER_ACTION(PRE,"PRE") void PRE::registerKeywords( Keywords& keys ) { componentsAreNotOptional(keys); diff --git a/src/isdb/RDC.cpp b/src/isdb/RDC.cpp index c458733072..7c4deae748 100644 --- a/src/isdb/RDC.cpp +++ b/src/isdb/RDC.cpp @@ -217,8 +217,8 @@ class RDC : void update() override; }; -PLUMED_REGISTER_ACTION(RDC,RDC) -PLUMED_REGISTER_ACTION(RDC,PCS) +PLUMED_REGISTER_ACTION(RDC,"RDC") +PLUMED_REGISTER_ACTION(RDC,"PCS") void RDC::registerKeywords( Keywords& keys ) { componentsAreNotOptional(keys); diff --git a/src/isdb/Rescale.cpp b/src/isdb/Rescale.cpp index 5233ab0cd1..16d9b39001 100644 --- a/src/isdb/Rescale.cpp +++ b/src/isdb/Rescale.cpp @@ -159,7 +159,7 @@ class Rescale : public bias::Bias }; -PLUMED_REGISTER_ACTION(Rescale,RESCALE) +PLUMED_REGISTER_ACTION(Rescale,"RESCALE") void Rescale::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/isdb/SAXS.cpp b/src/isdb/SAXS.cpp index 85f62298c8..d88d88f4cf 100644 --- a/src/isdb/SAXS.cpp +++ b/src/isdb/SAXS.cpp @@ -279,8 +279,8 @@ class SAXS : void update() override; }; -PLUMED_REGISTER_ACTION(SAXS,SAXS) -PLUMED_REGISTER_ACTION(SAXS,SANS) +PLUMED_REGISTER_ACTION(SAXS,"SAXS") +PLUMED_REGISTER_ACTION(SAXS,"SANS") void SAXS::registerKeywords(Keywords& keys) { componentsAreNotOptional(keys); diff --git a/src/isdb/Select.cpp b/src/isdb/Select.cpp index 1b4174b6e4..28ead4ce92 100644 --- a/src/isdb/Select.cpp +++ b/src/isdb/Select.cpp @@ -74,7 +74,7 @@ class Select : public function::Function static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(Select,SELECT) +PLUMED_REGISTER_ACTION(Select,"SELECT") void Select::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/isdb/Selector.cpp b/src/isdb/Selector.cpp index 88263c7b5f..f3e2e959c7 100644 --- a/src/isdb/Selector.cpp +++ b/src/isdb/Selector.cpp @@ -69,7 +69,7 @@ class Selector: void apply() override {} }; -PLUMED_REGISTER_ACTION(Selector,SELECTOR) +PLUMED_REGISTER_ACTION(Selector,"SELECTOR") void Selector::registerKeywords( Keywords& keys ) { Action::registerKeywords(keys); diff --git a/src/logmfd/LogMFD.cpp b/src/logmfd/LogMFD.cpp index bc0cc0b10c..ef7c6043d2 100644 --- a/src/logmfd/LogMFD.cpp +++ b/src/logmfd/LogMFD.cpp @@ -455,7 +455,7 @@ class LogMFD : public Bias { } }; -PLUMED_REGISTER_ACTION(LogMFD,LOGMFD) +PLUMED_REGISTER_ACTION(LogMFD,"LOGMFD") /** \brief instruction of parameters for Plumed manual. diff --git a/src/manyrestraints/LWalls.cpp b/src/manyrestraints/LWalls.cpp index 3c5cbac9e6..60df1436ef 100644 --- a/src/manyrestraints/LWalls.cpp +++ b/src/manyrestraints/LWalls.cpp @@ -68,7 +68,7 @@ class LWalls : public ManyRestraintsBase { double calcPotential( const double& val, double& df ) const override; }; -PLUMED_REGISTER_ACTION(LWalls,LWALLS) +PLUMED_REGISTER_ACTION(LWalls,"LWALLS") void LWalls::registerKeywords( Keywords& keys ) { ManyRestraintsBase::registerKeywords( keys ); diff --git a/src/manyrestraints/UWalls.cpp b/src/manyrestraints/UWalls.cpp index dc1600009c..470d342a39 100644 --- a/src/manyrestraints/UWalls.cpp +++ b/src/manyrestraints/UWalls.cpp @@ -72,7 +72,7 @@ class UWalls : public ManyRestraintsBase { double calcPotential( const double& val, double& df ) const override; }; -PLUMED_REGISTER_ACTION(UWalls,UWALLS) +PLUMED_REGISTER_ACTION(UWalls,"UWALLS") void UWalls::registerKeywords( Keywords& keys ) { ManyRestraintsBase::registerKeywords( keys ); diff --git a/src/mapping/AdaptivePath.cpp b/src/mapping/AdaptivePath.cpp index a0d68d5d1f..8754d88f77 100644 --- a/src/mapping/AdaptivePath.cpp +++ b/src/mapping/AdaptivePath.cpp @@ -110,7 +110,7 @@ class AdaptivePath : public Mapping { void update() override; }; -PLUMED_REGISTER_ACTION(AdaptivePath,ADAPTIVE_PATH) +PLUMED_REGISTER_ACTION(AdaptivePath,"ADAPTIVE_PATH") void AdaptivePath::registerKeywords( Keywords& keys ) { Mapping::registerKeywords( keys ); keys.remove("PROPERTY"); diff --git a/src/mapping/PCAVars.cpp b/src/mapping/PCAVars.cpp index 85eb87622b..9bef5ec738 100644 --- a/src/mapping/PCAVars.cpp +++ b/src/mapping/PCAVars.cpp @@ -194,7 +194,7 @@ class PCAVars : void apply() override; }; -PLUMED_REGISTER_ACTION(PCAVars,PCAVARS) +PLUMED_REGISTER_ACTION(PCAVars,"PCAVARS") void PCAVars::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/mapping/Path.cpp b/src/mapping/Path.cpp index 60c59e20b4..345b334b27 100644 --- a/src/mapping/Path.cpp +++ b/src/mapping/Path.cpp @@ -136,7 +136,7 @@ class Path : public PathBase { explicit Path(const ActionOptions&); }; -PLUMED_REGISTER_ACTION(Path,PATH) +PLUMED_REGISTER_ACTION(Path,"PATH") void Path::registerKeywords( Keywords& keys ) { PathBase::registerKeywords( keys ); keys.remove("PROPERTY"); diff --git a/src/mapping/PropertyMap.cpp b/src/mapping/PropertyMap.cpp index 40de9def74..2a27d8f894 100644 --- a/src/mapping/PropertyMap.cpp +++ b/src/mapping/PropertyMap.cpp @@ -101,7 +101,7 @@ class PropertyMap : public PathBase { explicit PropertyMap(const ActionOptions&); }; -PLUMED_REGISTER_ACTION(PropertyMap,GPROPERTYMAP) +PLUMED_REGISTER_ACTION(PropertyMap,"GPROPERTYMAP") void PropertyMap::registerKeywords( Keywords& keys ) { PathBase::registerKeywords( keys ); diff --git a/src/maze/Loss.cpp b/src/maze/Loss.cpp index dd8a584280..a2a29f6cb7 100644 --- a/src/maze/Loss.cpp +++ b/src/maze/Loss.cpp @@ -59,7 +59,7 @@ l: MAZE_LOSS PARAMS=1,1,1 //+ENDPLUMEDOC // Registers the LOSS action. -PLUMED_REGISTER_ACTION(Loss, MAZE_LOSS) +PLUMED_REGISTER_ACTION(Loss, "MAZE_LOSS") void Loss::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/maze/Memetic.cpp b/src/maze/Memetic.cpp index 77d75556ec..49e4024da6 100644 --- a/src/maze/Memetic.cpp +++ b/src/maze/Memetic.cpp @@ -80,7 +80,7 @@ The neighbor list can be turned on by providing the NLIST keyword. /** * Register MAZE_MEMETIC_SAMPLING. */ -PLUMED_REGISTER_ACTION(Memetic, MAZE_MEMETIC_SAMPLING) +PLUMED_REGISTER_ACTION(Memetic, "MAZE_MEMETIC_SAMPLING") void Memetic::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/maze/Optimizer_Bias.cpp b/src/maze/Optimizer_Bias.cpp index 5316f0b30a..1dacbaed8c 100644 --- a/src/maze/Optimizer_Bias.cpp +++ b/src/maze/Optimizer_Bias.cpp @@ -195,7 +195,7 @@ class OptimizerBias: public bias::Bias { }; // Register OPTIMIZER_BIAS as a keyword for PLUMED2 input files. -PLUMED_REGISTER_ACTION(OptimizerBias, MAZE_OPTIMIZER_BIAS) +PLUMED_REGISTER_ACTION(OptimizerBias, "MAZE_OPTIMIZER_BIAS") void OptimizerBias::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/maze/Random_Acceleration_MD.cpp b/src/maze/Random_Acceleration_MD.cpp index c65349a16f..e4303ae7b7 100644 --- a/src/maze/Random_Acceleration_MD.cpp +++ b/src/maze/Random_Acceleration_MD.cpp @@ -109,7 +109,7 @@ class Random_Acceleration_MD: public Optimizer { }; // Register MAZE_RANDOM_ACCELERATION_MD. -PLUMED_REGISTER_ACTION(Random_Acceleration_MD, MAZE_RANDOM_ACCELERATION_MD) +PLUMED_REGISTER_ACTION(Random_Acceleration_MD, "MAZE_RANDOM_ACCELERATION_MD") void Random_Acceleration_MD::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/maze/Random_Walk.cpp b/src/maze/Random_Walk.cpp index 3b52a4f272..ebd2c17a78 100644 --- a/src/maze/Random_Walk.cpp +++ b/src/maze/Random_Walk.cpp @@ -94,7 +94,7 @@ class Random_Walk: public Optimizer { }; // Register MAZE_RANDOM_WALK. -PLUMED_REGISTER_ACTION(Random_Walk, MAZE_RANDOM_WALK) +PLUMED_REGISTER_ACTION(Random_Walk, "MAZE_RANDOM_WALK") void Random_Walk::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/maze/Simulated_Annealing.cpp b/src/maze/Simulated_Annealing.cpp index 46547466b2..c7c17059b0 100644 --- a/src/maze/Simulated_Annealing.cpp +++ b/src/maze/Simulated_Annealing.cpp @@ -117,7 +117,7 @@ class Simulated_Annealing: public Optimizer { }; // Register MAZE_SIMULATED_ANNEALING. -PLUMED_REGISTER_ACTION(Simulated_Annealing, MAZE_SIMULATED_ANNEALING) +PLUMED_REGISTER_ACTION(Simulated_Annealing, "MAZE_SIMULATED_ANNEALING") void Simulated_Annealing::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/maze/Steered_MD.cpp b/src/maze/Steered_MD.cpp index d0a8570eb1..9bd7145ed5 100644 --- a/src/maze/Steered_MD.cpp +++ b/src/maze/Steered_MD.cpp @@ -102,7 +102,7 @@ class Steered_MD: public Optimizer { }; // Register MAZE_STEERED_MD. -PLUMED_REGISTER_ACTION(Steered_MD, MAZE_STEERED_MD) +PLUMED_REGISTER_ACTION(Steered_MD, "MAZE_STEERED_MD") void Steered_MD::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/membranefusion/FusionPoreExpansionP.cpp b/src/membranefusion/FusionPoreExpansionP.cpp index 7edad44de7..172f4a7630 100644 --- a/src/membranefusion/FusionPoreExpansionP.cpp +++ b/src/membranefusion/FusionPoreExpansionP.cpp @@ -82,7 +82,7 @@ class fusionPoreExpansionP : public Colvar static void registerKeywords(Keywords &keys); }; -PLUMED_REGISTER_ACTION(fusionPoreExpansionP, FUSIONPOREEXPANSIONP) +PLUMED_REGISTER_ACTION(fusionPoreExpansionP, "FUSIONPOREEXPANSIONP") void fusionPoreExpansionP::registerKeywords(Keywords &keys) { diff --git a/src/membranefusion/FusionPoreNucleationP.cpp b/src/membranefusion/FusionPoreNucleationP.cpp index 56aa14b355..6dbc82abe4 100644 --- a/src/membranefusion/FusionPoreNucleationP.cpp +++ b/src/membranefusion/FusionPoreNucleationP.cpp @@ -85,7 +85,7 @@ class fusionPoreNucleationP : public Colvar static void registerKeywords(Keywords &keys); }; -PLUMED_REGISTER_ACTION(fusionPoreNucleationP, FUSIONPORENUCLEATIONP) +PLUMED_REGISTER_ACTION(fusionPoreNucleationP, "FUSIONPORENUCLEATIONP") void fusionPoreNucleationP::registerKeywords(Keywords &keys) { diff --git a/src/membranefusion/MemFusionP.cpp b/src/membranefusion/MemFusionP.cpp index 1834e0546b..8b0b5f4846 100644 --- a/src/membranefusion/MemFusionP.cpp +++ b/src/membranefusion/MemFusionP.cpp @@ -86,7 +86,7 @@ class memFusionP : public Colvar static void registerKeywords(Keywords &keys); }; -PLUMED_REGISTER_ACTION(memFusionP, MEMFUSIONP) +PLUMED_REGISTER_ACTION(memFusionP, "MEMFUSIONP") void memFusionP::registerKeywords(Keywords &keys) { diff --git a/src/multicolvar/AlphaBeta.cpp b/src/multicolvar/AlphaBeta.cpp index bcfcbd05d1..e6fb1bb57c 100644 --- a/src/multicolvar/AlphaBeta.cpp +++ b/src/multicolvar/AlphaBeta.cpp @@ -103,7 +103,7 @@ class AlphaBeta : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(AlphaBeta,ALPHABETA) +PLUMED_REGISTER_ACTION(AlphaBeta,"ALPHABETA") void AlphaBeta::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/Angles.cpp b/src/multicolvar/Angles.cpp index e6e5d48261..561773e08a 100644 --- a/src/multicolvar/Angles.cpp +++ b/src/multicolvar/Angles.cpp @@ -98,7 +98,7 @@ class Angles : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(Angles,ANGLES) +PLUMED_REGISTER_ACTION(Angles,"ANGLES") void Angles::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/Bridge.cpp b/src/multicolvar/Bridge.cpp index e67372ab4b..f8a072ba1c 100644 --- a/src/multicolvar/Bridge.cpp +++ b/src/multicolvar/Bridge.cpp @@ -70,7 +70,7 @@ class Bridge : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(Bridge,BRIDGE) +PLUMED_REGISTER_ACTION(Bridge,"BRIDGE") void Bridge::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/CenterOfMultiColvar.cpp b/src/multicolvar/CenterOfMultiColvar.cpp index 28b9787385..f88fbcc6e8 100644 --- a/src/multicolvar/CenterOfMultiColvar.cpp +++ b/src/multicolvar/CenterOfMultiColvar.cpp @@ -93,7 +93,7 @@ class CenterOfMultiColvar : public ActionWithVirtualAtom { void calculate() override; }; -PLUMED_REGISTER_ACTION(CenterOfMultiColvar,CENTER_OF_MULTICOLVAR) +PLUMED_REGISTER_ACTION(CenterOfMultiColvar,"CENTER_OF_MULTICOLVAR") void CenterOfMultiColvar::registerKeywords(Keywords& keys) { ActionWithVirtualAtom::registerKeywords(keys); diff --git a/src/multicolvar/CoordinationNumbers.cpp b/src/multicolvar/CoordinationNumbers.cpp index 4abd93c564..6db785f043 100644 --- a/src/multicolvar/CoordinationNumbers.cpp +++ b/src/multicolvar/CoordinationNumbers.cpp @@ -92,7 +92,7 @@ class CoordinationNumbers : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(CoordinationNumbers,COORDINATIONNUMBER) +PLUMED_REGISTER_ACTION(CoordinationNumbers,"COORDINATIONNUMBER") void CoordinationNumbers::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/Density.cpp b/src/multicolvar/Density.cpp index e25ebad32a..679d6d91f5 100644 --- a/src/multicolvar/Density.cpp +++ b/src/multicolvar/Density.cpp @@ -65,7 +65,7 @@ class Density : public MultiColvarBase { void getValueForTask( const unsigned& iatom, std::vector& vals ); }; -PLUMED_REGISTER_ACTION(Density,DENSITY) +PLUMED_REGISTER_ACTION(Density,"DENSITY") void Density::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/DihedralCorrelation.cpp b/src/multicolvar/DihedralCorrelation.cpp index 22a847544b..239f128831 100644 --- a/src/multicolvar/DihedralCorrelation.cpp +++ b/src/multicolvar/DihedralCorrelation.cpp @@ -89,7 +89,7 @@ class DihedralCorrelation : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(DihedralCorrelation,DIHCOR) +PLUMED_REGISTER_ACTION(DihedralCorrelation,"DIHCOR") void DihedralCorrelation::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/DistanceFromContour.cpp b/src/multicolvar/DistanceFromContour.cpp index 5a335efd9a..56450d419a 100644 --- a/src/multicolvar/DistanceFromContour.cpp +++ b/src/multicolvar/DistanceFromContour.cpp @@ -97,7 +97,7 @@ class DistanceFromContour : public MultiColvarBase { void apply() override; }; -PLUMED_REGISTER_ACTION(DistanceFromContour,DISTANCE_FROM_CONTOUR) +PLUMED_REGISTER_ACTION(DistanceFromContour,"DISTANCE_FROM_CONTOUR") void DistanceFromContour::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/Distances.cpp b/src/multicolvar/Distances.cpp index e943770995..624f49a66e 100644 --- a/src/multicolvar/Distances.cpp +++ b/src/multicolvar/Distances.cpp @@ -132,7 +132,7 @@ class Distances : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(Distances,DISTANCES) +PLUMED_REGISTER_ACTION(Distances,"DISTANCES") void Distances::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/DumpMultiColvar.cpp b/src/multicolvar/DumpMultiColvar.cpp index 08e236ca34..d84e34a507 100644 --- a/src/multicolvar/DumpMultiColvar.cpp +++ b/src/multicolvar/DumpMultiColvar.cpp @@ -80,7 +80,7 @@ class DumpMultiColvar: void update() override; }; -PLUMED_REGISTER_ACTION(DumpMultiColvar,DUMPMULTICOLVAR) +PLUMED_REGISTER_ACTION(DumpMultiColvar,"DUMPMULTICOLVAR") void DumpMultiColvar::registerKeywords( Keywords& keys ) { Action::registerKeywords( keys ); diff --git a/src/multicolvar/FilterBetween.cpp b/src/multicolvar/FilterBetween.cpp index 50304c163c..af8042c633 100644 --- a/src/multicolvar/FilterBetween.cpp +++ b/src/multicolvar/FilterBetween.cpp @@ -144,8 +144,8 @@ class FilterBetween : public MultiColvarFilter { double applyFilter( const double& val, double& df ) const override; }; -PLUMED_REGISTER_ACTION(FilterBetween,MFILTER_BETWEEN) -PLUMED_REGISTER_ACTION(FilterBetween,MTRANSFORM_BETWEEN) +PLUMED_REGISTER_ACTION(FilterBetween,"MFILTER_BETWEEN") +PLUMED_REGISTER_ACTION(FilterBetween,"MTRANSFORM_BETWEEN") void FilterBetween::registerKeywords( Keywords& keys ) { MultiColvarFilter::registerKeywords( keys ); diff --git a/src/multicolvar/FilterLessThan.cpp b/src/multicolvar/FilterLessThan.cpp index b2594327d7..bd48663f9d 100644 --- a/src/multicolvar/FilterLessThan.cpp +++ b/src/multicolvar/FilterLessThan.cpp @@ -119,8 +119,8 @@ class FilterLess : public MultiColvarFilter { double applyFilter( const double& val, double& df ) const override; }; -PLUMED_REGISTER_ACTION(FilterLess,MFILTER_LESS) -PLUMED_REGISTER_ACTION(FilterLess,MTRANSFORM_LESS) +PLUMED_REGISTER_ACTION(FilterLess,"MFILTER_LESS") +PLUMED_REGISTER_ACTION(FilterLess,"MTRANSFORM_LESS") void FilterLess::registerKeywords( Keywords& keys ) { MultiColvarFilter::registerKeywords( keys ); diff --git a/src/multicolvar/FilterMoreThan.cpp b/src/multicolvar/FilterMoreThan.cpp index 3a151174ba..f72d45ec3a 100644 --- a/src/multicolvar/FilterMoreThan.cpp +++ b/src/multicolvar/FilterMoreThan.cpp @@ -136,8 +136,8 @@ class FilterMore : public MultiColvarFilter { double applyFilter( const double& val, double& df ) const override; }; -PLUMED_REGISTER_ACTION(FilterMore,MFILTER_MORE) -PLUMED_REGISTER_ACTION(FilterMore,MTRANSFORM_MORE) +PLUMED_REGISTER_ACTION(FilterMore,"MFILTER_MORE") +PLUMED_REGISTER_ACTION(FilterMore,"MTRANSFORM_MORE") void FilterMore::registerKeywords( Keywords& keys ) { MultiColvarFilter::registerKeywords( keys ); diff --git a/src/multicolvar/InPlaneDistances.cpp b/src/multicolvar/InPlaneDistances.cpp index baa245b0ed..289a4ca01b 100644 --- a/src/multicolvar/InPlaneDistances.cpp +++ b/src/multicolvar/InPlaneDistances.cpp @@ -69,7 +69,7 @@ class InPlaneDistances : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(InPlaneDistances,INPLANEDISTANCES) +PLUMED_REGISTER_ACTION(InPlaneDistances,"INPLANEDISTANCES") void InPlaneDistances::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/LocalAverage.cpp b/src/multicolvar/LocalAverage.cpp index f1edbce1f5..11a9eb3344 100644 --- a/src/multicolvar/LocalAverage.cpp +++ b/src/multicolvar/LocalAverage.cpp @@ -100,7 +100,7 @@ class LocalAverage : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(LocalAverage,LOCAL_AVERAGE) +PLUMED_REGISTER_ACTION(LocalAverage,"LOCAL_AVERAGE") void LocalAverage::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/MultiColvarCombine.cpp b/src/multicolvar/MultiColvarCombine.cpp index b1195c542e..7dd7b96e38 100644 --- a/src/multicolvar/MultiColvarCombine.cpp +++ b/src/multicolvar/MultiColvarCombine.cpp @@ -50,7 +50,7 @@ class MultiColvarCombine : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(MultiColvarCombine,MCOLV_COMBINE) +PLUMED_REGISTER_ACTION(MultiColvarCombine,"MCOLV_COMBINE") void MultiColvarCombine::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/MultiColvarDensity.cpp b/src/multicolvar/MultiColvarDensity.cpp index 644becb09e..43bf9459c6 100644 --- a/src/multicolvar/MultiColvarDensity.cpp +++ b/src/multicolvar/MultiColvarDensity.cpp @@ -104,7 +104,7 @@ class MultiColvarDensity : public gridtools::ActionWithGrid { void apply() override {} }; -PLUMED_REGISTER_ACTION(MultiColvarDensity,MULTICOLVARDENS) +PLUMED_REGISTER_ACTION(MultiColvarDensity,"MULTICOLVARDENS") void MultiColvarDensity::registerKeywords( Keywords& keys ) { gridtools::ActionWithGrid::registerKeywords( keys ); diff --git a/src/multicolvar/MultiColvarProduct.cpp b/src/multicolvar/MultiColvarProduct.cpp index 17575b180c..6968cc1106 100644 --- a/src/multicolvar/MultiColvarProduct.cpp +++ b/src/multicolvar/MultiColvarProduct.cpp @@ -49,7 +49,7 @@ class MultiColvarProduct : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(MultiColvarProduct,MCOLV_PRODUCT) +PLUMED_REGISTER_ACTION(MultiColvarProduct,"MCOLV_PRODUCT") void MultiColvarProduct::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/NumberOfLinks.cpp b/src/multicolvar/NumberOfLinks.cpp index 6d1ccb731e..f4ebd80c65 100644 --- a/src/multicolvar/NumberOfLinks.cpp +++ b/src/multicolvar/NumberOfLinks.cpp @@ -83,7 +83,7 @@ class NumberOfLinks : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(NumberOfLinks,NLINKS) +PLUMED_REGISTER_ACTION(NumberOfLinks,"NLINKS") void NumberOfLinks::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/Torsions.cpp b/src/multicolvar/Torsions.cpp index 83560e9d21..cd565ea73b 100644 --- a/src/multicolvar/Torsions.cpp +++ b/src/multicolvar/Torsions.cpp @@ -82,7 +82,7 @@ class Torsions : public MultiColvarBase { void retrieveDomain( std::string& min, std::string& max ) override { min="-pi"; max="pi"; } }; -PLUMED_REGISTER_ACTION(Torsions,TORSIONS) +PLUMED_REGISTER_ACTION(Torsions,"TORSIONS") void Torsions::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/VolumeAround.cpp b/src/multicolvar/VolumeAround.cpp index a21da6b9a4..6d8f7e1e09 100644 --- a/src/multicolvar/VolumeAround.cpp +++ b/src/multicolvar/VolumeAround.cpp @@ -80,7 +80,7 @@ class VolumeAround : public ActionVolume { double calculateNumberInside( const Vector& cpos, Vector& derivatives, Tensor& vir, std::vector& refders ) const override; }; -PLUMED_REGISTER_ACTION(VolumeAround,AROUND) +PLUMED_REGISTER_ACTION(VolumeAround,"AROUND") void VolumeAround::registerKeywords( Keywords& keys ) { ActionVolume::registerKeywords( keys ); diff --git a/src/multicolvar/VolumeBetweenContours.cpp b/src/multicolvar/VolumeBetweenContours.cpp index 412fed9ffe..9d788859a7 100644 --- a/src/multicolvar/VolumeBetweenContours.cpp +++ b/src/multicolvar/VolumeBetweenContours.cpp @@ -75,7 +75,7 @@ class VolumeInEnvelope : public ActionVolume { double calculateNumberInside( const Vector& cpos, Vector& derivatives, Tensor& vir, std::vector& refders ) const override; }; -PLUMED_REGISTER_ACTION(VolumeInEnvelope,INENVELOPE) +PLUMED_REGISTER_ACTION(VolumeInEnvelope,"INENVELOPE") void VolumeInEnvelope::registerKeywords( Keywords& keys ) { ActionVolume::registerKeywords( keys ); keys.remove("SIGMA"); diff --git a/src/multicolvar/VolumeCavity.cpp b/src/multicolvar/VolumeCavity.cpp index ea022eb3b2..c2d3eb1f1f 100644 --- a/src/multicolvar/VolumeCavity.cpp +++ b/src/multicolvar/VolumeCavity.cpp @@ -124,7 +124,7 @@ class VolumeCavity : public ActionVolume { double calculateNumberInside( const Vector& cpos, Vector& derivatives, Tensor& vir, std::vector& refders ) const override; }; -PLUMED_REGISTER_ACTION(VolumeCavity,CAVITY) +PLUMED_REGISTER_ACTION(VolumeCavity,"CAVITY") void VolumeCavity::registerKeywords( Keywords& keys ) { ActionVolume::registerKeywords( keys ); diff --git a/src/multicolvar/VolumeInCylinder.cpp b/src/multicolvar/VolumeInCylinder.cpp index 6ae5ef87fa..c37ed8fda2 100644 --- a/src/multicolvar/VolumeInCylinder.cpp +++ b/src/multicolvar/VolumeInCylinder.cpp @@ -84,7 +84,7 @@ class VolumeInCylinder : public ActionVolume { double calculateNumberInside( const Vector& cpos, Vector& derivatives, Tensor& vir, std::vector& refders ) const override; }; -PLUMED_REGISTER_ACTION(VolumeInCylinder,INCYLINDER) +PLUMED_REGISTER_ACTION(VolumeInCylinder,"INCYLINDER") void VolumeInCylinder::registerKeywords( Keywords& keys ) { ActionVolume::registerKeywords( keys ); diff --git a/src/multicolvar/VolumeInSphere.cpp b/src/multicolvar/VolumeInSphere.cpp index 0bcc76a6b2..9de9077fc2 100644 --- a/src/multicolvar/VolumeInSphere.cpp +++ b/src/multicolvar/VolumeInSphere.cpp @@ -80,7 +80,7 @@ class VolumeInSphere : public ActionVolume { double calculateNumberInside( const Vector& cpos, Vector& derivatives, Tensor& vir, std::vector& refders ) const override; }; -PLUMED_REGISTER_ACTION(VolumeInSphere,INSPHERE) +PLUMED_REGISTER_ACTION(VolumeInSphere,"INSPHERE") void VolumeInSphere::registerKeywords( Keywords& keys ) { ActionVolume::registerKeywords( keys ); diff --git a/src/multicolvar/VolumeTetrapore.cpp b/src/multicolvar/VolumeTetrapore.cpp index 41bec01366..ee66d158dd 100644 --- a/src/multicolvar/VolumeTetrapore.cpp +++ b/src/multicolvar/VolumeTetrapore.cpp @@ -132,7 +132,7 @@ class VolumeTetrapore : public ActionVolume { double calculateNumberInside( const Vector& cpos, Vector& derivatives, Tensor& vir, std::vector& refders ) const override; }; -PLUMED_REGISTER_ACTION(VolumeTetrapore,TETRAHEDRALPORE) +PLUMED_REGISTER_ACTION(VolumeTetrapore,"TETRAHEDRALPORE") void VolumeTetrapore::registerKeywords( Keywords& keys ) { ActionVolume::registerKeywords( keys ); diff --git a/src/multicolvar/XAngle.cpp b/src/multicolvar/XAngle.cpp index 1296c3adc3..e50a90b227 100644 --- a/src/multicolvar/XAngle.cpp +++ b/src/multicolvar/XAngle.cpp @@ -96,9 +96,9 @@ class XAngles : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(XAngles,XANGLES) -PLUMED_REGISTER_ACTION(XAngles,YANGLES) -PLUMED_REGISTER_ACTION(XAngles,ZANGLES) +PLUMED_REGISTER_ACTION(XAngles,"XANGLES") +PLUMED_REGISTER_ACTION(XAngles,"YANGLES") +PLUMED_REGISTER_ACTION(XAngles,"ZANGLES") void XAngles::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/XDistances.cpp b/src/multicolvar/XDistances.cpp index 1f0cd56cc5..a60347eef4 100644 --- a/src/multicolvar/XDistances.cpp +++ b/src/multicolvar/XDistances.cpp @@ -182,9 +182,9 @@ class XDistances : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(XDistances,XDISTANCES) -PLUMED_REGISTER_ACTION(XDistances,YDISTANCES) -PLUMED_REGISTER_ACTION(XDistances,ZDISTANCES) +PLUMED_REGISTER_ACTION(XDistances,"XDISTANCES") +PLUMED_REGISTER_ACTION(XDistances,"YDISTANCES") +PLUMED_REGISTER_ACTION(XDistances,"ZDISTANCES") void XDistances::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/XYDistances.cpp b/src/multicolvar/XYDistances.cpp index 3111f88816..a01d002bab 100644 --- a/src/multicolvar/XYDistances.cpp +++ b/src/multicolvar/XYDistances.cpp @@ -107,9 +107,9 @@ class XYDistances : public MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(XYDistances,XYDISTANCES) -PLUMED_REGISTER_ACTION(XYDistances,XZDISTANCES) -PLUMED_REGISTER_ACTION(XYDistances,YZDISTANCES) +PLUMED_REGISTER_ACTION(XYDistances,"XYDISTANCES") +PLUMED_REGISTER_ACTION(XYDistances,"XZDISTANCES") +PLUMED_REGISTER_ACTION(XYDistances,"YZDISTANCES") void XYDistances::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/multicolvar/XYTorsion.cpp b/src/multicolvar/XYTorsion.cpp index 137a9b59fb..0d1d45c2d8 100644 --- a/src/multicolvar/XYTorsion.cpp +++ b/src/multicolvar/XYTorsion.cpp @@ -146,12 +146,12 @@ class XYTorsion : public MultiColvarBase { void retrieveDomain( std::string& min, std::string& max) override { min="-pi"; max="pi"; } }; -PLUMED_REGISTER_ACTION(XYTorsion,XYTORSIONS) -PLUMED_REGISTER_ACTION(XYTorsion,XZTORSIONS) -PLUMED_REGISTER_ACTION(XYTorsion,YXTORSIONS) -PLUMED_REGISTER_ACTION(XYTorsion,YZTORSIONS) -PLUMED_REGISTER_ACTION(XYTorsion,ZXTORSIONS) -PLUMED_REGISTER_ACTION(XYTorsion,ZYTORSIONS) +PLUMED_REGISTER_ACTION(XYTorsion,"XYTORSIONS") +PLUMED_REGISTER_ACTION(XYTorsion,"XZTORSIONS") +PLUMED_REGISTER_ACTION(XYTorsion,"YXTORSIONS") +PLUMED_REGISTER_ACTION(XYTorsion,"YZTORSIONS") +PLUMED_REGISTER_ACTION(XYTorsion,"ZXTORSIONS") +PLUMED_REGISTER_ACTION(XYTorsion,"ZYTORSIONS") void XYTorsion::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/opes/ECVcustom.cpp b/src/opes/ECVcustom.cpp index 3262d0d5e1..cde45524d9 100644 --- a/src/opes/ECVcustom.cpp +++ b/src/opes/ECVcustom.cpp @@ -82,7 +82,7 @@ class ECVcustom : void initECVs_restart(const std::vector&) override; }; -PLUMED_REGISTER_ACTION(ECVcustom,ECV_CUSTOM) +PLUMED_REGISTER_ACTION(ECVcustom,"ECV_CUSTOM") void ECVcustom::registerKeywords(Keywords& keys) { diff --git a/src/opes/ECVlinear.cpp b/src/opes/ECVlinear.cpp index 8546d9d5de..6af3f6ea9b 100644 --- a/src/opes/ECVlinear.cpp +++ b/src/opes/ECVlinear.cpp @@ -92,7 +92,7 @@ class ECVlinear : void initECVs_restart(const std::vector&) override; }; -PLUMED_REGISTER_ACTION(ECVlinear,ECV_LINEAR) +PLUMED_REGISTER_ACTION(ECVlinear,"ECV_LINEAR") void ECVlinear::registerKeywords(Keywords& keys) { diff --git a/src/opes/ECVmultiThermal.cpp b/src/opes/ECVmultiThermal.cpp index 4121d32c42..df19c5ca0b 100644 --- a/src/opes/ECVmultiThermal.cpp +++ b/src/opes/ECVmultiThermal.cpp @@ -100,7 +100,7 @@ class ECVmultiCanonical : void initECVs_restart(const std::vector&) override; }; -PLUMED_REGISTER_ACTION(ECVmultiCanonical,ECV_MULTITHERMAL) +PLUMED_REGISTER_ACTION(ECVmultiCanonical,"ECV_MULTITHERMAL") void ECVmultiCanonical::registerKeywords(Keywords& keys) { diff --git a/src/opes/ECVmultiThermalBaric.cpp b/src/opes/ECVmultiThermalBaric.cpp index 0d3d508817..17b3d07e31 100644 --- a/src/opes/ECVmultiThermalBaric.cpp +++ b/src/opes/ECVmultiThermalBaric.cpp @@ -107,7 +107,7 @@ class ECVmultiThermalBaric : void initECVs_restart(const std::vector&) override; }; -PLUMED_REGISTER_ACTION(ECVmultiThermalBaric,ECV_MULTITHERMAL_MULTIBARIC) +PLUMED_REGISTER_ACTION(ECVmultiThermalBaric,"ECV_MULTITHERMAL_MULTIBARIC") void ECVmultiThermalBaric::registerKeywords(Keywords& keys) { diff --git a/src/opes/ECVumbrellasFile.cpp b/src/opes/ECVumbrellasFile.cpp index 0bfc2d4ad8..6f1342bdd4 100644 --- a/src/opes/ECVumbrellasFile.cpp +++ b/src/opes/ECVumbrellasFile.cpp @@ -93,7 +93,7 @@ class ECVumbrellasFile : void initECVs_restart(const std::vector&) override; }; -PLUMED_REGISTER_ACTION(ECVumbrellasFile,ECV_UMBRELLAS_FILE) +PLUMED_REGISTER_ACTION(ECVumbrellasFile,"ECV_UMBRELLAS_FILE") void ECVumbrellasFile::registerKeywords(Keywords& keys) { diff --git a/src/opes/ECVumbrellasLine.cpp b/src/opes/ECVumbrellasLine.cpp index 7bca8d9dac..0ab817422f 100644 --- a/src/opes/ECVumbrellasLine.cpp +++ b/src/opes/ECVumbrellasLine.cpp @@ -94,7 +94,7 @@ class ECVumbrellasLine : void initECVs_restart(const std::vector&) override; }; -PLUMED_REGISTER_ACTION(ECVumbrellasLine,ECV_UMBRELLAS_LINE) +PLUMED_REGISTER_ACTION(ECVumbrellasLine,"ECV_UMBRELLAS_LINE") void ECVumbrellasLine::registerKeywords(Keywords& keys) { diff --git a/src/opes/OPESexpanded.cpp b/src/opes/OPESexpanded.cpp index 8d9e0609b2..53ccd8b4f9 100644 --- a/src/opes/OPESexpanded.cpp +++ b/src/opes/OPESexpanded.cpp @@ -176,7 +176,7 @@ class OPESexpanded : public bias::Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(OPESexpanded,OPES_EXPANDED) +PLUMED_REGISTER_ACTION(OPESexpanded,"OPES_EXPANDED") void OPESexpanded::registerKeywords(Keywords& keys) { diff --git a/src/opes/OPESmetad.cpp b/src/opes/OPESmetad.cpp index 74cc769b69..570642fe0b 100644 --- a/src/opes/OPESmetad.cpp +++ b/src/opes/OPESmetad.cpp @@ -253,7 +253,7 @@ class OPESmetad : public bias::Bias { struct convergence { static const bool explore=false; }; typedef OPESmetad OPESmetad_c; -PLUMED_REGISTER_ACTION(OPESmetad_c,OPES_METAD) +PLUMED_REGISTER_ACTION(OPESmetad_c,"OPES_METAD") //OPES_METAD_EXPLORE is very similar from the point of view of the code, //but conceptually it is better to make it a separate BIAS action @@ -297,7 +297,7 @@ PRINT STRIDE=100 FILE=COLVAR ARG=cv,opes.* struct exploration { static const bool explore=true; }; typedef OPESmetad OPESmetad_e; -PLUMED_REGISTER_ACTION(OPESmetad_e,OPES_METAD_EXPLORE) +PLUMED_REGISTER_ACTION(OPESmetad_e,"OPES_METAD_EXPLORE") template void OPESmetad::registerKeywords(Keywords& keys) diff --git a/src/pamm/HBPammHydrogens.cpp b/src/pamm/HBPammHydrogens.cpp index 03f53f1fff..e4364308de 100644 --- a/src/pamm/HBPammHydrogens.cpp +++ b/src/pamm/HBPammHydrogens.cpp @@ -57,7 +57,7 @@ class HBPammHydrogens : public multicolvar::MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(HBPammHydrogens,HBPAMM_SH) +PLUMED_REGISTER_ACTION(HBPammHydrogens,"HBPAMM_SH") void HBPammHydrogens::registerKeywords( Keywords& keys ) { multicolvar::MultiColvarBase::registerKeywords( keys ); diff --git a/src/pamm/HBPammMatrix.cpp b/src/pamm/HBPammMatrix.cpp index 04c5036381..2ddf872727 100644 --- a/src/pamm/HBPammMatrix.cpp +++ b/src/pamm/HBPammMatrix.cpp @@ -58,7 +58,7 @@ class HBPammMatrix : public adjmat::AdjacencyMatrixBase { bool checkForConnection( const std::vector& myvals ) const { return !(myvals[1]>epsilon); } }; -PLUMED_REGISTER_ACTION(HBPammMatrix,HBPAMM_MATRIX) +PLUMED_REGISTER_ACTION(HBPammMatrix,"HBPAMM_MATRIX") void HBPammMatrix::registerKeywords( Keywords& keys ) { adjmat::AdjacencyMatrixBase::registerKeywords( keys ); diff --git a/src/pamm/PAMM.cpp b/src/pamm/PAMM.cpp index 3ed1b30a1c..a699c11e53 100644 --- a/src/pamm/PAMM.cpp +++ b/src/pamm/PAMM.cpp @@ -129,7 +129,7 @@ class PAMM : public multicolvar::MultiColvarBase { bool isPeriodic() override { return false; } }; -PLUMED_REGISTER_ACTION(PAMM,PAMM) +PLUMED_REGISTER_ACTION(PAMM,"PAMM") void PAMM::registerKeywords( Keywords& keys ) { MultiColvarBase::registerKeywords( keys ); diff --git a/src/piv/PIV.cpp b/src/piv/PIV.cpp index b695201aa6..ec8c6b58fb 100644 --- a/src/piv/PIV.cpp +++ b/src/piv/PIV.cpp @@ -231,7 +231,7 @@ class PIV : public Colvar void checkFieldsAllowed() {} }; -PLUMED_REGISTER_ACTION(PIV,PIV) +PLUMED_REGISTER_ACTION(PIV,"PIV") void PIV::registerKeywords( Keywords& keys ) { diff --git a/src/pytorch/PytorchModel.cpp b/src/pytorch/PytorchModel.cpp index bd9da1b18a..2245ffffe3 100644 --- a/src/pytorch/PytorchModel.cpp +++ b/src/pytorch/PytorchModel.cpp @@ -77,7 +77,7 @@ class PytorchModel : std::vector tensor_to_vector(const torch::Tensor& x); }; -PLUMED_REGISTER_ACTION(PytorchModel,PYTORCH_MODEL) +PLUMED_REGISTER_ACTION(PytorchModel,"PYTORCH_MODEL") void PytorchModel::registerKeywords(Keywords& keys) { Function::registerKeywords(keys); diff --git a/src/s2cm/S2ContactModel.cpp b/src/s2cm/S2ContactModel.cpp index ecee63ea21..00231ec726 100644 --- a/src/s2cm/S2ContactModel.cpp +++ b/src/s2cm/S2ContactModel.cpp @@ -78,7 +78,7 @@ class S2ContactModel : public Colvar { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(S2ContactModel,S2CM) +PLUMED_REGISTER_ACTION(S2ContactModel,"S2CM") void S2ContactModel::registerKeywords( Keywords& keys ) { Colvar::registerKeywords(keys); diff --git a/src/sasa/sasa_HASEL.cpp b/src/sasa/sasa_HASEL.cpp index a0f63a31c7..3d421f9b08 100644 --- a/src/sasa/sasa_HASEL.cpp +++ b/src/sasa/sasa_HASEL.cpp @@ -162,7 +162,7 @@ class SASA_HASEL : public Colvar { virtual void calculate(); }; -PLUMED_REGISTER_ACTION(SASA_HASEL,SASA_HASEL) +PLUMED_REGISTER_ACTION(SASA_HASEL,"SASA_HASEL") void SASA_HASEL::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/sasa/sasa_LCPO.cpp b/src/sasa/sasa_LCPO.cpp index 5ddda48023..0d5bf5d08c 100755 --- a/src/sasa/sasa_LCPO.cpp +++ b/src/sasa/sasa_LCPO.cpp @@ -160,7 +160,7 @@ class SASA_LCPO : public Colvar { virtual void calculate(); }; -PLUMED_REGISTER_ACTION(SASA_LCPO,SASA_LCPO) +PLUMED_REGISTER_ACTION(SASA_LCPO,"SASA_LCPO") void SASA_LCPO::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/secondarystructure/AlphaRMSD.cpp b/src/secondarystructure/AlphaRMSD.cpp index 87092f4703..eff82fb2fa 100644 --- a/src/secondarystructure/AlphaRMSD.cpp +++ b/src/secondarystructure/AlphaRMSD.cpp @@ -91,7 +91,7 @@ class AlphaRMSD : public SecondaryStructureRMSD { explicit AlphaRMSD(const ActionOptions&); }; -PLUMED_REGISTER_ACTION(AlphaRMSD,ALPHARMSD) +PLUMED_REGISTER_ACTION(AlphaRMSD,"ALPHARMSD") void AlphaRMSD::registerKeywords( Keywords& keys ) { SecondaryStructureRMSD::registerKeywords( keys ); diff --git a/src/secondarystructure/AntibetaRMSD.cpp b/src/secondarystructure/AntibetaRMSD.cpp index ddbeea391f..c06abc7e3c 100644 --- a/src/secondarystructure/AntibetaRMSD.cpp +++ b/src/secondarystructure/AntibetaRMSD.cpp @@ -92,7 +92,7 @@ class AntibetaRMSD : public SecondaryStructureRMSD { explicit AntibetaRMSD(const ActionOptions&); }; -PLUMED_REGISTER_ACTION(AntibetaRMSD,ANTIBETARMSD) +PLUMED_REGISTER_ACTION(AntibetaRMSD,"ANTIBETARMSD") void AntibetaRMSD::registerKeywords( Keywords& keys ) { SecondaryStructureRMSD::registerKeywords( keys ); diff --git a/src/secondarystructure/ParabetaRMSD.cpp b/src/secondarystructure/ParabetaRMSD.cpp index 6eeae22b5a..9e2e06ea52 100644 --- a/src/secondarystructure/ParabetaRMSD.cpp +++ b/src/secondarystructure/ParabetaRMSD.cpp @@ -93,7 +93,7 @@ class ParabetaRMSD : public SecondaryStructureRMSD { explicit ParabetaRMSD(const ActionOptions&); }; -PLUMED_REGISTER_ACTION(ParabetaRMSD,PARABETARMSD) +PLUMED_REGISTER_ACTION(ParabetaRMSD,"PARABETARMSD") void ParabetaRMSD::registerKeywords( Keywords& keys ) { SecondaryStructureRMSD::registerKeywords( keys ); diff --git a/src/setup/Load.cpp b/src/setup/Load.cpp index d2aedca196..03283662e5 100644 --- a/src/setup/Load.cpp +++ b/src/setup/Load.cpp @@ -101,7 +101,7 @@ class Load : explicit Load(const ActionOptions&ao); }; -PLUMED_REGISTER_ACTION(Load,LOAD) +PLUMED_REGISTER_ACTION(Load,"LOAD") void Load::registerKeywords( Keywords& keys ) { ActionSetup::registerKeywords(keys); diff --git a/src/setup/Restart.cpp b/src/setup/Restart.cpp index 8ef73a1e2c..560dca57d2 100644 --- a/src/setup/Restart.cpp +++ b/src/setup/Restart.cpp @@ -95,7 +95,7 @@ class Restart : explicit Restart(const ActionOptions&ao); }; -PLUMED_REGISTER_ACTION(Restart,RESTART) +PLUMED_REGISTER_ACTION(Restart,"RESTART") void Restart::registerKeywords( Keywords& keys ) { ActionSetup::registerKeywords(keys); diff --git a/src/setup/Units.cpp b/src/setup/Units.cpp index 00d223cfe3..8d42aee19e 100644 --- a/src/setup/Units.cpp +++ b/src/setup/Units.cpp @@ -95,7 +95,7 @@ class Units : explicit Units(const ActionOptions&ao); }; -PLUMED_REGISTER_ACTION(Units,UNITS) +PLUMED_REGISTER_ACTION(Units,"UNITS") void Units::registerKeywords( Keywords& keys ) { ActionSetup::registerKeywords(keys); diff --git a/src/vatom/Center.cpp b/src/vatom/Center.cpp index e3cb6fbc52..461f92eb66 100644 --- a/src/vatom/Center.cpp +++ b/src/vatom/Center.cpp @@ -136,8 +136,8 @@ class Center: static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Center,CENTER) -PLUMED_REGISTER_ACTION(Center,COM) +PLUMED_REGISTER_ACTION(Center,"CENTER") +PLUMED_REGISTER_ACTION(Center,"COM") void Center::registerKeywords(Keywords& keys) { ActionWithVirtualAtom::registerKeywords(keys); diff --git a/src/vatom/FixedAtom.cpp b/src/vatom/FixedAtom.cpp index 7aaaf37d0c..f97ebe3cd7 100644 --- a/src/vatom/FixedAtom.cpp +++ b/src/vatom/FixedAtom.cpp @@ -94,7 +94,7 @@ class FixedAtom: static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(FixedAtom,FIXEDATOM) +PLUMED_REGISTER_ACTION(FixedAtom,"FIXEDATOM") void FixedAtom::registerKeywords(Keywords& keys) { ActionWithVirtualAtom::registerKeywords(keys); diff --git a/src/vatom/Ghost.cpp b/src/vatom/Ghost.cpp index 3cf903019e..d5a9252e0a 100644 --- a/src/vatom/Ghost.cpp +++ b/src/vatom/Ghost.cpp @@ -59,7 +59,7 @@ class Ghost: static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(Ghost,GHOST) +PLUMED_REGISTER_ACTION(Ghost,"GHOST") void Ghost::registerKeywords(Keywords& keys) { ActionWithVirtualAtom::registerKeywords(keys); diff --git a/src/ves/BF_Chebyshev.cpp b/src/ves/BF_Chebyshev.cpp index 2f7f238cf9..c520969b9d 100644 --- a/src/ves/BF_Chebyshev.cpp +++ b/src/ves/BF_Chebyshev.cpp @@ -96,7 +96,7 @@ class BF_Chebyshev : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Chebyshev,BF_CHEBYSHEV) +PLUMED_REGISTER_ACTION(BF_Chebyshev,"BF_CHEBYSHEV") void BF_Chebyshev::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Combined.cpp b/src/ves/BF_Combined.cpp index 3b18a38308..450acd8af3 100644 --- a/src/ves/BF_Combined.cpp +++ b/src/ves/BF_Combined.cpp @@ -74,7 +74,7 @@ class BF_Combined : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Combined,BF_COMBINED) +PLUMED_REGISTER_ACTION(BF_Combined,"BF_COMBINED") void BF_Combined::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Cosine.cpp b/src/ves/BF_Cosine.cpp index bc25c0b99a..f7e15b547d 100644 --- a/src/ves/BF_Cosine.cpp +++ b/src/ves/BF_Cosine.cpp @@ -91,7 +91,7 @@ class BF_Cosine : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Cosine,BF_COSINE) +PLUMED_REGISTER_ACTION(BF_Cosine,"BF_COSINE") void BF_Cosine::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_CubicBsplines.cpp b/src/ves/BF_CubicBsplines.cpp index b87a84fe09..669b9e886c 100644 --- a/src/ves/BF_CubicBsplines.cpp +++ b/src/ves/BF_CubicBsplines.cpp @@ -96,7 +96,7 @@ class BF_CubicBsplines : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_CubicBsplines,BF_CUBIC_B_SPLINES) +PLUMED_REGISTER_ACTION(BF_CubicBsplines,"BF_CUBIC_B_SPLINES") // See DOI 10.1007/s10614-007-9092-4 for more information; diff --git a/src/ves/BF_Custom.cpp b/src/ves/BF_Custom.cpp index 8c976bf6b3..627736c728 100644 --- a/src/ves/BF_Custom.cpp +++ b/src/ves/BF_Custom.cpp @@ -123,7 +123,7 @@ class BF_Custom : public BasisFunctions { void getAllValues(const double, double&, bool&, std::vector&, std::vector&) const override; }; -PLUMED_REGISTER_ACTION(BF_Custom,BF_CUSTOM) +PLUMED_REGISTER_ACTION(BF_Custom,"BF_CUSTOM") void BF_Custom::registerKeywords(Keywords& keys) { BasisFunctions::registerKeywords(keys); diff --git a/src/ves/BF_Fourier.cpp b/src/ves/BF_Fourier.cpp index fdc4d86aad..19ba0d1005 100644 --- a/src/ves/BF_Fourier.cpp +++ b/src/ves/BF_Fourier.cpp @@ -92,7 +92,7 @@ class BF_Fourier : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Fourier,BF_FOURIER) +PLUMED_REGISTER_ACTION(BF_Fourier,"BF_FOURIER") void BF_Fourier::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Gaussians.cpp b/src/ves/BF_Gaussians.cpp index 1bb395c756..2454d8c1ce 100644 --- a/src/ves/BF_Gaussians.cpp +++ b/src/ves/BF_Gaussians.cpp @@ -111,7 +111,7 @@ class BF_Gaussians : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Gaussians,BF_GAUSSIANS) +PLUMED_REGISTER_ACTION(BF_Gaussians,"BF_GAUSSIANS") void BF_Gaussians::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Legendre.cpp b/src/ves/BF_Legendre.cpp index 31459dbdc1..a17526f14c 100644 --- a/src/ves/BF_Legendre.cpp +++ b/src/ves/BF_Legendre.cpp @@ -103,7 +103,7 @@ class BF_Legendre : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Legendre,BF_LEGENDRE) +PLUMED_REGISTER_ACTION(BF_Legendre,"BF_LEGENDRE") void BF_Legendre::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Powers.cpp b/src/ves/BF_Powers.cpp index 932c9f086a..2a7377d820 100644 --- a/src/ves/BF_Powers.cpp +++ b/src/ves/BF_Powers.cpp @@ -87,7 +87,7 @@ class BF_Powers : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Powers,BF_POWERS) +PLUMED_REGISTER_ACTION(BF_Powers,"BF_POWERS") void BF_Powers::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Sine.cpp b/src/ves/BF_Sine.cpp index 4521801201..93fd9c6557 100644 --- a/src/ves/BF_Sine.cpp +++ b/src/ves/BF_Sine.cpp @@ -90,7 +90,7 @@ class BF_Sine : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Sine,BF_SINE) +PLUMED_REGISTER_ACTION(BF_Sine,"BF_SINE") void BF_Sine::registerKeywords(Keywords& keys) { diff --git a/src/ves/BF_Wavelets.cpp b/src/ves/BF_Wavelets.cpp index a45a121d29..cca0c79154 100644 --- a/src/ves/BF_Wavelets.cpp +++ b/src/ves/BF_Wavelets.cpp @@ -215,7 +215,7 @@ class BF_Wavelets : public BasisFunctions { }; -PLUMED_REGISTER_ACTION(BF_Wavelets,BF_WAVELETS) +PLUMED_REGISTER_ACTION(BF_Wavelets,"BF_WAVELETS") void BF_Wavelets::registerKeywords(Keywords& keys) { diff --git a/src/ves/Opt_Adam.cpp b/src/ves/Opt_Adam.cpp index 58c02a99a9..636704e9fa 100644 --- a/src/ves/Opt_Adam.cpp +++ b/src/ves/Opt_Adam.cpp @@ -72,7 +72,7 @@ inline CoeffsVector& Opt_Adam::VarmaxCoeffs(const unsigned int coeffs_id) const {return *varmax_coeffs_pntrs_[coeffs_id];} -PLUMED_REGISTER_ACTION(Opt_Adam,OPT_ADAM) +PLUMED_REGISTER_ACTION(Opt_Adam,"OPT_ADAM") void Opt_Adam::registerKeywords(Keywords& keys) { diff --git a/src/ves/Opt_BachAveragedSGD.cpp b/src/ves/Opt_BachAveragedSGD.cpp index 613802f8cc..5ae28d3678 100644 --- a/src/ves/Opt_BachAveragedSGD.cpp +++ b/src/ves/Opt_BachAveragedSGD.cpp @@ -196,7 +196,7 @@ class Opt_BachAveragedSGD : public Optimizer { }; -PLUMED_REGISTER_ACTION(Opt_BachAveragedSGD,OPT_AVERAGED_SGD) +PLUMED_REGISTER_ACTION(Opt_BachAveragedSGD,"OPT_AVERAGED_SGD") void Opt_BachAveragedSGD::registerKeywords(Keywords& keys) { diff --git a/src/ves/Opt_Dummy.cpp b/src/ves/Opt_Dummy.cpp index a78424e3ca..58fa53cd91 100644 --- a/src/ves/Opt_Dummy.cpp +++ b/src/ves/Opt_Dummy.cpp @@ -82,7 +82,7 @@ class Opt_Dummy : public Optimizer { }; -PLUMED_REGISTER_ACTION(Opt_Dummy,OPT_DUMMY) +PLUMED_REGISTER_ACTION(Opt_Dummy,"OPT_DUMMY") void Opt_Dummy::registerKeywords(Keywords& keys) { diff --git a/src/ves/Opt_RobbinsMonroSGD.cpp b/src/ves/Opt_RobbinsMonroSGD.cpp index 7b0b7ad3ff..e045b4d91a 100644 --- a/src/ves/Opt_RobbinsMonroSGD.cpp +++ b/src/ves/Opt_RobbinsMonroSGD.cpp @@ -51,7 +51,7 @@ class Opt_RobbinsMonroSGD : public Optimizer { }; -PLUMED_REGISTER_ACTION(Opt_RobbinsMonroSGD,OPT_ROBBINS_MONRO_SGD) +PLUMED_REGISTER_ACTION(Opt_RobbinsMonroSGD,"OPT_ROBBINS_MONRO_SGD") void Opt_RobbinsMonroSGD::registerKeywords(Keywords& keys) { diff --git a/src/ves/OutputBasisFunctions.cpp b/src/ves/OutputBasisFunctions.cpp index cfcf18ee85..c9f4ad3c77 100644 --- a/src/ves/OutputBasisFunctions.cpp +++ b/src/ves/OutputBasisFunctions.cpp @@ -93,7 +93,7 @@ class OutputBasisFunctions : }; -PLUMED_REGISTER_ACTION(OutputBasisFunctions,VES_OUTPUT_BASISFUNCTIONS) +PLUMED_REGISTER_ACTION(OutputBasisFunctions,"VES_OUTPUT_BASISFUNCTIONS") void OutputBasisFunctions::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/ves/OutputFesBias.cpp b/src/ves/OutputFesBias.cpp index c0a2274991..8a4160b7e1 100644 --- a/src/ves/OutputFesBias.cpp +++ b/src/ves/OutputFesBias.cpp @@ -107,7 +107,7 @@ class OutputFesBias : public Action { }; -PLUMED_REGISTER_ACTION(OutputFesBias,VES_OUTPUT_FES) +PLUMED_REGISTER_ACTION(OutputFesBias,"VES_OUTPUT_FES") void OutputFesBias::registerKeywords(Keywords& keys) { diff --git a/src/ves/OutputTargetDistribution.cpp b/src/ves/OutputTargetDistribution.cpp index ba2eacbae4..067a00dfd3 100644 --- a/src/ves/OutputTargetDistribution.cpp +++ b/src/ves/OutputTargetDistribution.cpp @@ -89,7 +89,7 @@ class OutputTargetDistribution : }; -PLUMED_REGISTER_ACTION(OutputTargetDistribution,VES_OUTPUT_TARGET_DISTRIBUTION) +PLUMED_REGISTER_ACTION(OutputTargetDistribution,"VES_OUTPUT_TARGET_DISTRIBUTION") void OutputTargetDistribution::registerKeywords(Keywords& keys) { Action::registerKeywords(keys); diff --git a/src/ves/TD_Chi.cpp b/src/ves/TD_Chi.cpp index 076e2edcb3..c28b515141 100644 --- a/src/ves/TD_Chi.cpp +++ b/src/ves/TD_Chi.cpp @@ -88,7 +88,7 @@ class TD_Chi: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_Chi,TD_CHI) +PLUMED_REGISTER_ACTION(TD_Chi,"TD_CHI") void TD_Chi::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_ChiSquared.cpp b/src/ves/TD_ChiSquared.cpp index ff70dd9691..4f21902f1f 100644 --- a/src/ves/TD_ChiSquared.cpp +++ b/src/ves/TD_ChiSquared.cpp @@ -88,7 +88,7 @@ class TD_ChiSquared: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_ChiSquared,TD_CHISQUARED) +PLUMED_REGISTER_ACTION(TD_ChiSquared,"TD_CHISQUARED") void TD_ChiSquared::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_Custom.cpp b/src/ves/TD_Custom.cpp index 6f4ac58b77..d71d72193b 100644 --- a/src/ves/TD_Custom.cpp +++ b/src/ves/TD_Custom.cpp @@ -143,7 +143,7 @@ class TD_Custom : public TargetDistribution { ~TD_Custom() {}; }; -PLUMED_REGISTER_ACTION(TD_Custom,TD_CUSTOM) +PLUMED_REGISTER_ACTION(TD_Custom,"TD_CUSTOM") void TD_Custom::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_Exponential.cpp b/src/ves/TD_Exponential.cpp index 6e47f990e6..e3b1f5107a 100644 --- a/src/ves/TD_Exponential.cpp +++ b/src/ves/TD_Exponential.cpp @@ -81,7 +81,7 @@ class TD_Exponential: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_Exponential,TD_EXPONENTIAL) +PLUMED_REGISTER_ACTION(TD_Exponential,"TD_EXPONENTIAL") void TD_Exponential::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_ExponentiallyModifiedGaussian.cpp b/src/ves/TD_ExponentiallyModifiedGaussian.cpp index f24bc04d17..d6cdf455ca 100644 --- a/src/ves/TD_ExponentiallyModifiedGaussian.cpp +++ b/src/ves/TD_ExponentiallyModifiedGaussian.cpp @@ -116,7 +116,7 @@ class TD_ExponentiallyModifiedGaussian: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_ExponentiallyModifiedGaussian,TD_EXPONENTIALLY_MODIFIED_GAUSSIAN) +PLUMED_REGISTER_ACTION(TD_ExponentiallyModifiedGaussian,"TD_EXPONENTIALLY_MODIFIED_GAUSSIAN") void TD_ExponentiallyModifiedGaussian::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_Gaussian.cpp b/src/ves/TD_Gaussian.cpp index ee909fae73..a54084d85d 100644 --- a/src/ves/TD_Gaussian.cpp +++ b/src/ves/TD_Gaussian.cpp @@ -173,7 +173,7 @@ class TD_Gaussian: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_Gaussian,TD_GAUSSIAN) +PLUMED_REGISTER_ACTION(TD_Gaussian,"TD_GAUSSIAN") void TD_Gaussian::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_GeneralizedExtremeValue.cpp b/src/ves/TD_GeneralizedExtremeValue.cpp index f3939e9d2e..db48ac4f65 100644 --- a/src/ves/TD_GeneralizedExtremeValue.cpp +++ b/src/ves/TD_GeneralizedExtremeValue.cpp @@ -109,7 +109,7 @@ class TD_GeneralizedExtremeValue: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_GeneralizedExtremeValue,TD_GENERALIZED_EXTREME_VALUE) +PLUMED_REGISTER_ACTION(TD_GeneralizedExtremeValue,"TD_GENERALIZED_EXTREME_VALUE") void TD_GeneralizedExtremeValue::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_GeneralizedNormal.cpp b/src/ves/TD_GeneralizedNormal.cpp index 4798c6eb88..29925c27ab 100644 --- a/src/ves/TD_GeneralizedNormal.cpp +++ b/src/ves/TD_GeneralizedNormal.cpp @@ -111,7 +111,7 @@ class TD_GeneralizedNormal: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_GeneralizedNormal,TD_GENERALIZED_NORMAL) +PLUMED_REGISTER_ACTION(TD_GeneralizedNormal,"TD_GENERALIZED_NORMAL") void TD_GeneralizedNormal::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_Grid.cpp b/src/ves/TD_Grid.cpp index 87785d36f5..e77050a797 100644 --- a/src/ves/TD_Grid.cpp +++ b/src/ves/TD_Grid.cpp @@ -114,7 +114,7 @@ class TD_Grid : public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_Grid,TD_GRID) +PLUMED_REGISTER_ACTION(TD_Grid,"TD_GRID") void TD_Grid::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_LinearCombination.cpp b/src/ves/TD_LinearCombination.cpp index 18e81aafd8..3ba559433f 100644 --- a/src/ves/TD_LinearCombination.cpp +++ b/src/ves/TD_LinearCombination.cpp @@ -148,7 +148,7 @@ class TD_LinearCombination: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_LinearCombination,TD_LINEAR_COMBINATION) +PLUMED_REGISTER_ACTION(TD_LinearCombination,"TD_LINEAR_COMBINATION") void TD_LinearCombination::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_Multicanonical.cpp b/src/ves/TD_Multicanonical.cpp index bd35384052..6434ce102b 100644 --- a/src/ves/TD_Multicanonical.cpp +++ b/src/ves/TD_Multicanonical.cpp @@ -157,7 +157,7 @@ class TD_Multicanonical: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_Multicanonical,TD_MULTICANONICAL) +PLUMED_REGISTER_ACTION(TD_Multicanonical,"TD_MULTICANONICAL") void TD_Multicanonical::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_MultithermalMultibaric.cpp b/src/ves/TD_MultithermalMultibaric.cpp index ed6c7d2e91..cd9ba0ffef 100644 --- a/src/ves/TD_MultithermalMultibaric.cpp +++ b/src/ves/TD_MultithermalMultibaric.cpp @@ -229,7 +229,7 @@ class TD_MultithermalMultibaric: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_MultithermalMultibaric,TD_MULTITHERMAL_MULTIBARIC) +PLUMED_REGISTER_ACTION(TD_MultithermalMultibaric,"TD_MULTITHERMAL_MULTIBARIC") void TD_MultithermalMultibaric::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_ProductCombination.cpp b/src/ves/TD_ProductCombination.cpp index 8238276574..746a28d73c 100644 --- a/src/ves/TD_ProductCombination.cpp +++ b/src/ves/TD_ProductCombination.cpp @@ -137,7 +137,7 @@ class TD_ProductCombination: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_ProductCombination,TD_PRODUCT_COMBINATION) +PLUMED_REGISTER_ACTION(TD_ProductCombination,"TD_PRODUCT_COMBINATION") void TD_ProductCombination::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_ProductDistribution.cpp b/src/ves/TD_ProductDistribution.cpp index de8c76d51b..083538baa5 100644 --- a/src/ves/TD_ProductDistribution.cpp +++ b/src/ves/TD_ProductDistribution.cpp @@ -100,7 +100,7 @@ class TD_ProductDistribution: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_ProductDistribution,TD_PRODUCT_DISTRIBUTION) +PLUMED_REGISTER_ACTION(TD_ProductDistribution,"TD_PRODUCT_DISTRIBUTION") void TD_ProductDistribution::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_Uniform.cpp b/src/ves/TD_Uniform.cpp index 5435f9a0f9..8b40a63723 100644 --- a/src/ves/TD_Uniform.cpp +++ b/src/ves/TD_Uniform.cpp @@ -191,7 +191,7 @@ class TD_Uniform : public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_Uniform,TD_UNIFORM) +PLUMED_REGISTER_ACTION(TD_Uniform,"TD_UNIFORM") void TD_Uniform::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_VonMises.cpp b/src/ves/TD_VonMises.cpp index aa357ce92f..d14f2d890c 100644 --- a/src/ves/TD_VonMises.cpp +++ b/src/ves/TD_VonMises.cpp @@ -109,7 +109,7 @@ class TD_VonMises: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_VonMises,TD_VONMISES) +PLUMED_REGISTER_ACTION(TD_VonMises,"TD_VONMISES") void TD_VonMises::registerKeywords(Keywords& keys) { diff --git a/src/ves/TD_WellTempered.cpp b/src/ves/TD_WellTempered.cpp index 8986d39501..7d921b2830 100644 --- a/src/ves/TD_WellTempered.cpp +++ b/src/ves/TD_WellTempered.cpp @@ -110,7 +110,7 @@ class TD_WellTempered: public TargetDistribution { }; -PLUMED_REGISTER_ACTION(TD_WellTempered,TD_WELLTEMPERED) +PLUMED_REGISTER_ACTION(TD_WellTempered,"TD_WELLTEMPERED") void TD_WellTempered::registerKeywords(Keywords& keys) { diff --git a/src/ves/VesDeltaF.cpp b/src/ves/VesDeltaF.cpp index 6228c26a88..3e756f24e4 100644 --- a/src/ves/VesDeltaF.cpp +++ b/src/ves/VesDeltaF.cpp @@ -177,7 +177,7 @@ class VesDeltaF : public bias::Bias { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(VesDeltaF,VES_DELTA_F) +PLUMED_REGISTER_ACTION(VesDeltaF,"VES_DELTA_F") void VesDeltaF::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/ves/VesLinearExpansion.cpp b/src/ves/VesLinearExpansion.cpp index cc9e6ef8ba..3180eb8d22 100644 --- a/src/ves/VesLinearExpansion.cpp +++ b/src/ves/VesLinearExpansion.cpp @@ -317,7 +317,7 @@ class VesLinearExpansion : public VesBias { static void registerKeywords( Keywords& keys ); }; -PLUMED_REGISTER_ACTION(VesLinearExpansion,VES_LINEAR_EXPANSION) +PLUMED_REGISTER_ACTION(VesLinearExpansion,"VES_LINEAR_EXPANSION") void VesLinearExpansion::registerKeywords( Keywords& keys ) { VesBias::registerKeywords(keys); From 2b9345b78832db8d347cc7e694a58df82ca3c005 Mon Sep 17 00:00:00 2001 From: Daniele Rapetti Date: Fri, 12 May 2023 17:04:26 +0200 Subject: [PATCH 6/9] removed some spaces --- src/colvar/Dimer.cpp | 2 +- src/drr/DynamicReferenceRestraining.cpp | 2 +- src/eds/EDS.cpp | 2 +- src/maze/Loss.cpp | 2 +- src/maze/Memetic.cpp | 2 +- src/maze/Random_Walk.cpp | 2 +- src/maze/Simulated_Annealing.cpp | 2 +- src/maze/Steered_MD.cpp | 2 +- src/membranefusion/FusionPoreExpansionP.cpp | 2 +- src/membranefusion/FusionPoreNucleationP.cpp | 2 +- src/membranefusion/MemFusionP.cpp | 2 +- 11 files changed, 11 insertions(+), 11 deletions(-) diff --git a/src/colvar/Dimer.cpp b/src/colvar/Dimer.cpp index 549d43884b..36818daafb 100644 --- a/src/colvar/Dimer.cpp +++ b/src/colvar/Dimer.cpp @@ -140,7 +140,7 @@ class Dimer : public Colvar { }; -PLUMED_REGISTER_ACTION(Dimer, "DIMER") +PLUMED_REGISTER_ACTION(Dimer, "DIMER") diff --git a/src/drr/DynamicReferenceRestraining.cpp b/src/drr/DynamicReferenceRestraining.cpp index 86a833fa65..7a500964c3 100644 --- a/src/drr/DynamicReferenceRestraining.cpp +++ b/src/drr/DynamicReferenceRestraining.cpp @@ -242,7 +242,7 @@ class DynamicReferenceRestraining : public Bias { bool is_file_exist(const char *fileName); }; -PLUMED_REGISTER_ACTION(DynamicReferenceRestraining, "DRR") +PLUMED_REGISTER_ACTION(DynamicReferenceRestraining, "DRR") void DynamicReferenceRestraining::registerKeywords(Keywords &keys) { Bias::registerKeywords(keys); diff --git a/src/eds/EDS.cpp b/src/eds/EDS.cpp index bce50b375b..5aaacbef53 100644 --- a/src/eds/EDS.cpp +++ b/src/eds/EDS.cpp @@ -277,7 +277,7 @@ class EDS : public Bias ~EDS(); }; -PLUMED_REGISTER_ACTION(EDS, "EDS") +PLUMED_REGISTER_ACTION(EDS, "EDS") void EDS::registerKeywords(Keywords &keys) { diff --git a/src/maze/Loss.cpp b/src/maze/Loss.cpp index a2a29f6cb7..78addfada0 100644 --- a/src/maze/Loss.cpp +++ b/src/maze/Loss.cpp @@ -59,7 +59,7 @@ l: MAZE_LOSS PARAMS=1,1,1 //+ENDPLUMEDOC // Registers the LOSS action. -PLUMED_REGISTER_ACTION(Loss, "MAZE_LOSS") +PLUMED_REGISTER_ACTION(Loss, "MAZE_LOSS") void Loss::registerKeywords(Keywords& keys) { Colvar::registerKeywords(keys); diff --git a/src/maze/Memetic.cpp b/src/maze/Memetic.cpp index 49e4024da6..36774e55e7 100644 --- a/src/maze/Memetic.cpp +++ b/src/maze/Memetic.cpp @@ -80,7 +80,7 @@ The neighbor list can be turned on by providing the NLIST keyword. /** * Register MAZE_MEMETIC_SAMPLING. */ -PLUMED_REGISTER_ACTION(Memetic, "MAZE_MEMETIC_SAMPLING") +PLUMED_REGISTER_ACTION(Memetic, "MAZE_MEMETIC_SAMPLING") void Memetic::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/maze/Random_Walk.cpp b/src/maze/Random_Walk.cpp index ebd2c17a78..5d82c456e4 100644 --- a/src/maze/Random_Walk.cpp +++ b/src/maze/Random_Walk.cpp @@ -94,7 +94,7 @@ class Random_Walk: public Optimizer { }; // Register MAZE_RANDOM_WALK. -PLUMED_REGISTER_ACTION(Random_Walk, "MAZE_RANDOM_WALK") +PLUMED_REGISTER_ACTION(Random_Walk, "MAZE_RANDOM_WALK") void Random_Walk::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/maze/Simulated_Annealing.cpp b/src/maze/Simulated_Annealing.cpp index c7c17059b0..4edf3003cc 100644 --- a/src/maze/Simulated_Annealing.cpp +++ b/src/maze/Simulated_Annealing.cpp @@ -117,7 +117,7 @@ class Simulated_Annealing: public Optimizer { }; // Register MAZE_SIMULATED_ANNEALING. -PLUMED_REGISTER_ACTION(Simulated_Annealing, "MAZE_SIMULATED_ANNEALING") +PLUMED_REGISTER_ACTION(Simulated_Annealing, "MAZE_SIMULATED_ANNEALING") void Simulated_Annealing::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/maze/Steered_MD.cpp b/src/maze/Steered_MD.cpp index 9bd7145ed5..867c354f2c 100644 --- a/src/maze/Steered_MD.cpp +++ b/src/maze/Steered_MD.cpp @@ -102,7 +102,7 @@ class Steered_MD: public Optimizer { }; // Register MAZE_STEERED_MD. -PLUMED_REGISTER_ACTION(Steered_MD, "MAZE_STEERED_MD") +PLUMED_REGISTER_ACTION(Steered_MD, "MAZE_STEERED_MD") void Steered_MD::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); diff --git a/src/membranefusion/FusionPoreExpansionP.cpp b/src/membranefusion/FusionPoreExpansionP.cpp index 172f4a7630..5fbc9367f0 100644 --- a/src/membranefusion/FusionPoreExpansionP.cpp +++ b/src/membranefusion/FusionPoreExpansionP.cpp @@ -82,7 +82,7 @@ class fusionPoreExpansionP : public Colvar static void registerKeywords(Keywords &keys); }; -PLUMED_REGISTER_ACTION(fusionPoreExpansionP, "FUSIONPOREEXPANSIONP") +PLUMED_REGISTER_ACTION(fusionPoreExpansionP, "FUSIONPOREEXPANSIONP") void fusionPoreExpansionP::registerKeywords(Keywords &keys) { diff --git a/src/membranefusion/FusionPoreNucleationP.cpp b/src/membranefusion/FusionPoreNucleationP.cpp index 6dbc82abe4..02569c0846 100644 --- a/src/membranefusion/FusionPoreNucleationP.cpp +++ b/src/membranefusion/FusionPoreNucleationP.cpp @@ -85,7 +85,7 @@ class fusionPoreNucleationP : public Colvar static void registerKeywords(Keywords &keys); }; -PLUMED_REGISTER_ACTION(fusionPoreNucleationP, "FUSIONPORENUCLEATIONP") +PLUMED_REGISTER_ACTION(fusionPoreNucleationP, "FUSIONPORENUCLEATIONP") void fusionPoreNucleationP::registerKeywords(Keywords &keys) { diff --git a/src/membranefusion/MemFusionP.cpp b/src/membranefusion/MemFusionP.cpp index 8b0b5f4846..7e7437d9f2 100644 --- a/src/membranefusion/MemFusionP.cpp +++ b/src/membranefusion/MemFusionP.cpp @@ -86,7 +86,7 @@ class memFusionP : public Colvar static void registerKeywords(Keywords &keys); }; -PLUMED_REGISTER_ACTION(memFusionP, "MEMFUSIONP") +PLUMED_REGISTER_ACTION(memFusionP, "MEMFUSIONP") void memFusionP::registerKeywords(Keywords &keys) { From f6909bf2a4d005089105efb554c70ce66c9adf56 Mon Sep 17 00:00:00 2001 From: Daniele Rapetti Date: Fri, 12 May 2023 17:06:05 +0200 Subject: [PATCH 7/9] removed spaces --- src/function/FuncPathGeneral.cpp | 2 +- src/isdb/Jcoupling.cpp | 2 +- src/maze/Optimizer_Bias.cpp | 2 +- src/maze/Random_Acceleration_MD.cpp | 2 +- 4 files changed, 4 insertions(+), 4 deletions(-) diff --git a/src/function/FuncPathGeneral.cpp b/src/function/FuncPathGeneral.cpp index 34620a9ced..778f86c135 100644 --- a/src/function/FuncPathGeneral.cpp +++ b/src/function/FuncPathGeneral.cpp @@ -123,7 +123,7 @@ class FuncPathGeneral : public Function { static void registerKeywords(Keywords& keys); }; -PLUMED_REGISTER_ACTION(FuncPathGeneral, "FUNCPATHGENERAL") +PLUMED_REGISTER_ACTION(FuncPathGeneral, "FUNCPATHGENERAL") void FuncPathGeneral::loadReference() { IFile input; diff --git a/src/isdb/Jcoupling.cpp b/src/isdb/Jcoupling.cpp index b1eec976ba..27e7f5af90 100644 --- a/src/isdb/Jcoupling.cpp +++ b/src/isdb/Jcoupling.cpp @@ -103,7 +103,7 @@ class JCoupling : void update() override; }; -PLUMED_REGISTER_ACTION(JCoupling, "JCOUPLING") +PLUMED_REGISTER_ACTION(JCoupling, "JCOUPLING") void JCoupling::registerKeywords(Keywords& keys) { componentsAreNotOptional(keys); diff --git a/src/maze/Optimizer_Bias.cpp b/src/maze/Optimizer_Bias.cpp index 1dacbaed8c..1db06adf7f 100644 --- a/src/maze/Optimizer_Bias.cpp +++ b/src/maze/Optimizer_Bias.cpp @@ -195,7 +195,7 @@ class OptimizerBias: public bias::Bias { }; // Register OPTIMIZER_BIAS as a keyword for PLUMED2 input files. -PLUMED_REGISTER_ACTION(OptimizerBias, "MAZE_OPTIMIZER_BIAS") +PLUMED_REGISTER_ACTION(OptimizerBias, "MAZE_OPTIMIZER_BIAS") void OptimizerBias::registerKeywords(Keywords& keys) { Bias::registerKeywords(keys); diff --git a/src/maze/Random_Acceleration_MD.cpp b/src/maze/Random_Acceleration_MD.cpp index e4303ae7b7..741fda6e95 100644 --- a/src/maze/Random_Acceleration_MD.cpp +++ b/src/maze/Random_Acceleration_MD.cpp @@ -109,7 +109,7 @@ class Random_Acceleration_MD: public Optimizer { }; // Register MAZE_RANDOM_ACCELERATION_MD. -PLUMED_REGISTER_ACTION(Random_Acceleration_MD, "MAZE_RANDOM_ACCELERATION_MD") +PLUMED_REGISTER_ACTION(Random_Acceleration_MD, "MAZE_RANDOM_ACCELERATION_MD") void Random_Acceleration_MD::registerKeywords(Keywords& keys) { Optimizer::registerKeywords(keys); From e4213a7d1b77ecb2895ab4513f4145d0e2001ef0 Mon Sep 17 00:00:00 2001 From: Daniele Rapetti Date: Fri, 12 May 2023 17:08:55 +0200 Subject: [PATCH 8/9] reverted the documentation --- src/core/ActionRegister.h | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/core/ActionRegister.h b/src/core/ActionRegister.h index 1d806ca1ca..e2e5964f74 100644 --- a/src/core/ActionRegister.h +++ b/src/core/ActionRegister.h @@ -121,7 +121,7 @@ class ActionRegistration { /// \relates PLMD::ActionRegister /// For easier registration, this file also provides a macro PLUMED_REGISTER_ACTION. /// \param classname the name of the class to be registered -/// \param directive a name of the corresponding directive, do not use a string, the macro will convert it to a string +/// \param directive a string containing the corresponding directive /// This macro should be used in the .cpp file of the corresponding class #define PLUMED_REGISTER_ACTION(classname,directive) \ namespace {::PLMD::ActionRegistration PLUMED_CONCATENATE(classname##Registerer,__LINE__)(directive);} From 7016c11a1c316fdf344e5fd809a48260cf4d1f2d Mon Sep 17 00:00:00 2001 From: Daniele Rapetti Date: Mon, 15 May 2023 09:18:13 +0200 Subject: [PATCH 9/9] moved the definitions outside the PLMD namespace --- .gitignore | 2 -- src/core/ActionRegister.h | 11 ++++++----- 2 files changed, 6 insertions(+), 7 deletions(-) diff --git a/.gitignore b/.gitignore index d2fa379d08..e85ec29741 100644 --- a/.gitignore +++ b/.gitignore @@ -24,5 +24,3 @@ makefile.dep /config.* /autom4* /stamp-h -/build -/.vscode \ No newline at end of file diff --git a/src/core/ActionRegister.h b/src/core/ActionRegister.h index e2e5964f74..cba3125bf4 100644 --- a/src/core/ActionRegister.h +++ b/src/core/ActionRegister.h @@ -98,7 +98,7 @@ inline constexpr bool isActionType = std::is_base_of::value; ///Each instance of this specialized class represents an action that can be called ///with the specified directive. -///As soon it goes out of scope it will deregister the directive from ActionRegister +///As soon it goes out of scope it will deregister the directive from the singleton ActionRegister template class ActionRegistration { static std::unique_ptr create(const ActionOptions&ao) { @@ -107,12 +107,14 @@ class ActionRegistration { public: ///On construction register the ActionClass with the wanted directive ActionRegistration(std::string_view directive) { - static_assert(isActionType,"ActionRegistration accepts only class that inherit from Action"); + static_assert(isActionType, + "ActionRegistration accepts only class that inherit from Action"); actionRegister().add(directive.data(),create,ActionClass::registerKeywords); } ///On destruction deregister the ActionClass (useful when you unload a shared object) ~ActionRegistration() {actionRegister().remove(create);} }; +} //PLMD #define PLUMED_CONCATENATE_DIRECT(s1, s2) s1##s2 #define PLUMED_CONCATENATE(s1, s2) PLUMED_CONCATENATE_DIRECT(s1, s2) @@ -124,8 +126,7 @@ class ActionRegistration { /// \param directive a string containing the corresponding directive /// This macro should be used in the .cpp file of the corresponding class #define PLUMED_REGISTER_ACTION(classname,directive) \ - namespace {::PLMD::ActionRegistration PLUMED_CONCATENATE(classname##Registerer,__LINE__)(directive);} - -} //PLMD + namespace {::PLMD::ActionRegistration \ + PLUMED_CONCATENATE(classname##Registerer,__LINE__)(directive);} #endif