25.03

What's Changed

• Adding binary for four phonons thermal conductivity by @OrbitalC in #91

• Adding references for off-diagonal thermal conductivity (#88) by @OrbitalC in #92

• Add the computation of cumulative and spectral thermal conductivity in the new thermal conductivity by @OrbitalC in #125

• Long-range should be be properly symmetric now by @ollehellman in #98

• Write dispersion on irreducible grid to HDF5 by @flokno in #94

• Build libolle.so and add Install Rule by @ejmeitz in #126

• More Explicit Static Link -- Fixes Build on Some Mac Platforms by @ejmeitz in #130

• MAINT: Make phasespace_surface tests optional by @flokno in #101

• MAINT: Add simple CI pipeline to check if TDEP builds and runs by @flokno in #107

• ci | run on all pushes to main by @flokno in #112

• DOC: move important_settings templates to examples/build by @flokno in #117

New Contributors

• @ejmeitz made their first contribution in #126

Full Changelog: 24.09...25.03

24.09

What's Changed

• fix | submodule import for some Intel compilers by @flokno in #41
• Add off-diagonal contribution to the thermal conductivity in BTE solver by @OrbitalC in #48
• Small fixes to recover_dump_dynmat before merge by @flokno in #53
• first stab to recover dump_dynamical_matrices in public branch by @mjv500 in #49
• fix issue 59 | samples_from_md should only be used for MDs by @flokno in #60
• MAINT: lineshape options, simulation dataset by @flokno in #63
• fix | linking for dump_dynamical_matrices (#76) by @flokno in #79
• mdsim | fix displacement unit (-> A), add velocities by @flokno in #85
• ENH: Add phasespace surface by @flokno in #69

New Contributors

• @mjv500 made their first contribution in #49

Full Changelog: 24.01...24.09

TDEP release 24.01

TDEP public release after JOSS review

What's Changed

• Add code for anharmonic_free_energy by @flokno in #4
• Remove converters for release by @flokno in #5
• Installation instructions by @flokno in #6
• Add Testsuite by @flokno in #7
• Dump U0 plus statistics per default by @flokno in #8
• install | clarify GNUPLOTTERMINAL by @flokno in #13
• refine | re-enable symmetrizing supercells by @flokno in #20
• Correcting forces statistics for high-order force constants in extract_forceconstants by @OrbitalC in #25
• Add docs by @flokno in #9
• BUG: Fix IO for LAMMPS and Siesta by @flokno in #36
• Add a lower limit to the mixing parameter in thermal conductivity by @OrbitalC in #26
• Adding classical limit in anharmonic free energy by @OrbitalC in #18
• Save energies from force constants for each sample by @flokno in #38
• JOSS Paper and release by @flokno in #2

New Contributors

• @flokno made their first contribution in #4
• @OrbitalC made their first contribution in #25

Full Changelog: https://github.com/tdep-developers/tdep/commits/24.01