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phonopy
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phono3py
A simulation package of phonon-phonon interaction related properties
http://phonopy.github.io/phono3py/
BSD 3-Clause "New" or "Revised" License
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Set version 3.3.2
#255
atztogo
closed
6 hours ago
1
Fix phono3py.load: loading dataset wo forces
#254
atztogo
closed
7 hours ago
0
[pre-commit.ci] pre-commit autoupdate
#253
pre-commit-ci[bot]
closed
6 days ago
0
Set version 3.3.1
#252
atztogo
closed
1 week ago
1
Rename phonoc_utils -> funcs
#251
atztogo
closed
1 week ago
0
Isolate recprocal space grid code
#250
atztogo
closed
1 week ago
0
[pre-commit.ci] pre-commit autoupdate
#249
pre-commit-ci[bot]
closed
1 week ago
0
Set version 3.3.0
#248
atztogo
closed
2 weeks ago
0
Attempt to migrate build system to nanobind, scikit-build-core, and cmake
#247
atztogo
closed
2 weeks ago
1
Add test-size option to develop_mlp
#246
atztogo
closed
2 weeks ago
0
[pre-commit.ci] pre-commit autoupdate
#245
pre-commit-ci[bot]
closed
2 weeks ago
0
Command options for generating random directional displacements
#244
atztogo
closed
3 weeks ago
1
Update pypolymlp feature
#243
atztogo
closed
3 weeks ago
0
Update pypolymlp feature
#242
atztogo
closed
3 weeks ago
1
Add option for produce_fc3 using pypolymlp
#241
atztogo
closed
3 weeks ago
0
[pre-commit.ci] pre-commit autoupdate
#240
pre-commit-ci[bot]
closed
3 weeks ago
0
Migrate to ruff
#239
atztogo
closed
1 month ago
0
Preliminary support of symfc
#238
atztogo
closed
1 month ago
1
Update for numpy 2.0
#237
atztogo
closed
1 month ago
0
[pre-commit.ci] pre-commit autoupdate
#236
pre-commit-ci[bot]
closed
1 month ago
0
Converting phono3py's generated force constants into ShengBTE inputs
#235
Amrt4696
closed
1 month ago
1
Set version v3.1.1
#234
atztogo
closed
1 month ago
0
Set version v3.1.0
#233
atztogo
closed
1 month ago
0
Set version v3.0.4
#232
atztogo
closed
1 month ago
0
Fix broken data structure related to phonon_supercell_matrix etc
#231
atztogo
closed
1 month ago
0
[pre-commit.ci] pre-commit autoupdate
#230
pre-commit-ci[bot]
closed
1 month ago
0
New phono3py yaml for type2 dataset
#229
atztogo
closed
1 month ago
0
ImportError of LAPACKE_zheev in starting phono3py
#228
FurinaWai77
opened
2 months ago
1
[FEATURE] Add support for BLAS and LAPACK libraries discovery
#227
ccoulombe
opened
2 months ago
1
Set version 3.0.3
#226
atztogo
closed
2 months ago
0
Add supercell_energies attributes in API
#225
atztogo
closed
2 months ago
0
[pre-commit.ci] pre-commit autoupdate
#224
pre-commit-ci[bot]
closed
2 months ago
0
Supercell energies in type-2 dataset
#223
atztogo
closed
2 months ago
0
Energy in dataset
#222
atztogo
closed
2 months ago
0
Release version 3.0.2
#221
atztogo
closed
3 months ago
0
Release version 3.0.1
#220
atztogo
closed
3 months ago
0
Preparation for major version release (version 3)
#219
atztogo
closed
3 months ago
0
Optimize get_fc3_sum -> get_fc3_sum_blas_like
#218
atztogo
closed
3 months ago
0
Replace openmp_per_bands and openmp_at_bands by !openmp_per_triplets in C
#217
atztogo
closed
3 months ago
0
Examine BLAS for ph-ph interaction calculation
#216
atztogo
closed
3 months ago
0
Memorize phase factors in inner loop for better performance
#215
atztogo
closed
3 months ago
0
[pre-commit.ci] pre-commit autoupdate
#214
pre-commit-ci[bot]
closed
3 months ago
0
[pre-commit.ci] pre-commit autoupdate
#213
pre-commit-ci[bot]
closed
3 months ago
0
[pre-commit.ci] pre-commit autoupdate
#212
pre-commit-ci[bot]
closed
3 months ago
1
Follow recent change of phonopy
#211
atztogo
closed
4 months ago
1
[pre-commit.ci] pre-commit autoupdate
#210
pre-commit-ci[bot]
closed
4 months ago
0
Add the name of National Institute for Materials Science
#209
atztogo
closed
5 months ago
1
Add KappaDOSTHM to replace KappaDOS
#208
atztogo
closed
5 months ago
1
[pre-commit.ci] pre-commit autoupdate
#207
pre-commit-ci[bot]
closed
5 months ago
1
Write boundary-mfp in kappa-*.hdf5 file
#206
atztogo
closed
5 months ago
1
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