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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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Update phono3py API of pypolymlp
#299
atztogo
closed
3 hours ago
0
Improve docstring of KappaDOSTHM
#298
atztogo
closed
3 hours ago
0
Refactor Build system and CI
#297
LecrisUT
opened
20 hours ago
0
[pre-commit.ci] pre-commit autoupdate
#296
pre-commit-ci[bot]
closed
3 days ago
0
Publish pre-compiled wheels to PyPI
#295
janosh
opened
1 week ago
6
Set version 3.7.0
#294
atztogo
closed
1 week ago
0
Increase margin for an isotope-test
#293
atztogo
closed
1 week ago
0
[pre-commit.ci] pre-commit autoupdate
#292
pre-commit-ci[bot]
closed
1 week ago
1
[pre-commit.ci] pre-commit autoupdate
#291
pre-commit-ci[bot]
closed
2 weeks ago
0
Set version 3.6.0
#290
atztogo
closed
2 weeks ago
0
Update phonopy version dependenty
#289
atztogo
closed
3 weeks ago
0
[pre-commit.ci] pre-commit autoupdate
#288
pre-commit-ci[bot]
closed
3 weeks ago
0
[pre-commit.ci] pre-commit autoupdate
#287
pre-commit-ci[bot]
closed
1 month ago
0
Parse forces with displacement position check
#286
atztogo
closed
1 month ago
0
pytest with pypolymlp on github workflow
#285
atztogo
closed
1 month ago
0
[pre-commit.ci] pre-commit autoupdate
#284
pre-commit-ci[bot]
closed
1 month ago
0
Sequential atom index in third order force constants
#283
rfhari
opened
1 month ago
1
Non Gamma point FC3 calculation at unitcell level
#282
rfhari
closed
1 month ago
1
[pre-commit.ci] pre-commit autoupdate
#281
pre-commit-ci[bot]
closed
1 month ago
0
Set version 3.5.2
#280
atztogo
closed
1 month ago
0
[pre-commit.ci] pre-commit autoupdate
#279
pre-commit-ci[bot]
closed
1 month ago
0
Fix memory leak
#278
atztogo
closed
1 month ago
0
Set version 3.5.1
#277
atztogo
closed
2 months ago
0
Add document for pypolymlp interface
#276
atztogo
closed
2 months ago
0
[pre-commit.ci] pre-commit autoupdate
#275
pre-commit-ci[bot]
closed
2 months ago
0
Set version 3.5.0
#274
atztogo
closed
2 months ago
0
[pre-commit.ci] pre-commit autoupdate
#273
pre-commit-ci[bot]
closed
2 months ago
0
Separate detail of Phono3py.develop_mlp() into a function in phonopy
#272
atztogo
closed
2 months ago
0
Add pypolymlp CLI test
#271
atztogo
closed
2 months ago
0
[pre-commit.ci] pre-commit autoupdate
#270
pre-commit-ci[bot]
closed
2 months ago
0
Display interface mode in CLI
#269
atztogo
closed
2 months ago
0
[pre-commit.ci] pre-commit autoupdate
#268
pre-commit-ci[bot]
closed
2 months ago
0
Set version 3.4
#267
atztogo
closed
3 months ago
0
Update to follow phonopy update for spglib v2.5
#266
atztogo
closed
3 months ago
0
[pre-commit.ci] pre-commit autoupdate
#265
pre-commit-ci[bot]
closed
3 months ago
0
[pre-commit.ci] pre-commit autoupdate
#264
pre-commit-ci[bot]
closed
3 months ago
0
Release v3.3.4
#263
atztogo
closed
3 months ago
0
Update README.md in examples and fix CLI bugs
#262
atztogo
closed
3 months ago
0
Release v3.3.3
#261
atztogo
closed
3 months ago
0
[pre-commit.ci] pre-commit autoupdate
#260
pre-commit-ci[bot]
closed
3 months ago
0
Better support of random displacements
#259
atztogo
closed
3 months ago
1
[pre-commit.ci] pre-commit autoupdate
#258
pre-commit-ci[bot]
closed
3 months ago
0
Refactor workflows for running tests
#257
atztogo
closed
4 months ago
0
[pre-commit.ci] pre-commit autoupdate
#256
pre-commit-ci[bot]
closed
4 months ago
0
Set version 3.3.2
#255
atztogo
closed
4 months ago
1
Fix phono3py.load: loading dataset wo forces
#254
atztogo
closed
4 months ago
0
[pre-commit.ci] pre-commit autoupdate
#253
pre-commit-ci[bot]
closed
4 months ago
0
Set version 3.3.1
#252
atztogo
closed
4 months ago
1
Rename phonoc_utils -> funcs
#251
atztogo
closed
4 months ago
0
Isolate recprocal space grid code
#250
atztogo
closed
4 months ago
0
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