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[New Command] Effective Hamiltonian #131

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[New Command] Effective Hamiltonian #131

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105e444
move epot to libolle, start effective_hamiltonian
ejmeitz Mar 28, 2025
b17851f
main code builds
ejmeitz Mar 28, 2025
1da38b5
it works!
ejmeitz Mar 28, 2025
728bee6
got lost in my massive git mistake
ejmeitz Mar 29, 2025
bcfab2d
fix CI build
ejmeitz Mar 29, 2025
3f5238c
fix harmonic average
ejmeitz Mar 31, 2025
40352d5
fix some units stuff
ejmeitz Mar 31, 2025
53c390a
print I8
ejmeitz Apr 3, 2025
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1 change: 1 addition & 0 deletions build_things.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -172,6 +172,7 @@ refine_structure
thermal_conductivity
thermal_conductivity_2023
anharmonic_free_energy
effective_hamiltonian
"

# only when we have cgal
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7 changes: 3 additions & 4 deletions src/anharmonic_free_energy/Makefile
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Expand Up @@ -3,7 +3,7 @@ CODE=anharmonic_free_energy
PROG=../../build/$(CODE)/$(CODE)
OBJECT_PATH=../../build/$(CODE)/

OBJS = $(OBJECT_PATH)main.o $(OBJECT_PATH)options.o $(OBJECT_PATH)energy.o $(OBJECT_PATH)epot.o
OBJS = $(OBJECT_PATH)main.o $(OBJECT_PATH)options.o $(OBJECT_PATH)energy.o

LPATH = -L../../lib $(blaslapackLPATH) $(incLPATHhdf) $(incLPATHmpi)
IPATH = -I../../inc/libolle -I../../inc/libflap $(blaslapackIPATH) $(incIPATHhdf) $(incIPATHmpi)
Expand All @@ -24,12 +24,11 @@ clean:
.f90.o:
$(F90) $(F90FLAGS) -c $< $(LIBS)

$(OBJECT_PATH)main.o: main.f90 $(OBJECT_PATH)options.o $(OBJECT_PATH)energy.o $(OBJECT_PATH)epot.o
$(OBJECT_PATH)main.o: main.f90 $(OBJECT_PATH)options.o $(OBJECT_PATH)energy.o
$(F90) $(F90FLAGS) -c main.f90 $(LIBS) -o $@
$(OBJECT_PATH)energy.o: $(OBJECT_PATH)options.o
$(F90) $(F90FLAGS) -c energy.f90 $(LIBS) -o $@
$(OBJECT_PATH)options.o:
$(F90) $(F90FLAGS) -c options.f90 $(LIBS) -o $@
$(OBJECT_PATH)epot.o: epot.f90
$(F90) $(F90FLAGS) -c epot.f90 $(LIBS) -o $@


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