phonopy phono3py issues

phonopy / phono3py

A simulation package of phonon-phonon interaction related properties

http://phonopy.github.io/phono3py/

BSD 3-Clause "New" or "Revised" License

126 stars 55 forks source link

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[pre-commit.ci] pre-commit autoupdate

#304 pre-commit-ci[bot] closed 24 minutes ago
0
Set version 3.8.0

#303 atztogo closed 20 hours ago
1
Remove installation of pypolymlp and symfc from the test without lapa…

#302 atztogo closed 2 days ago
0
Option to run without linking BLAS and LAPACK in C

#301 atztogo closed 2 days ago
0
Alternatives to `lapacke.h`

#300 LecrisUT opened 3 days ago
6
Update phono3py API of pypolymlp

#299 atztogo closed 3 days ago
0
Improve docstring of KappaDOSTHM

#298 atztogo closed 3 days ago
0
Refactor Build system and CI

#297 LecrisUT opened 4 days ago
0
[pre-commit.ci] pre-commit autoupdate

#296 pre-commit-ci[bot] closed 6 days ago
0
Publish pre-compiled wheels to PyPI

#295 janosh opened 1 week ago
7
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 2 weeks 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 3 weeks ago
0
Update phonopy version dependenty

#289 atztogo closed 4 weeks ago
0
[pre-commit.ci] pre-commit autoupdate

#288 pre-commit-ci[bot] closed 4 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 2 months ago
0
[pre-commit.ci] pre-commit autoupdate

#279 pre-commit-ci[bot] closed 2 months ago
0
Fix memory leak

#278 atztogo closed 2 months 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 3 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