scnc
/
phono3py
mirror of https://github.com/phonopy/phono3py.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
2,485 Commits 6 Branches 83 Tags 67 MiB
Commit Graph

2485 Commits

Author SHA1 Message Date
Atsushi Togo 5bcb753357 Merge branch 'develop' 2025-02-07 19:16:44 +09:00
Atsushi Togo 01bffc756d
Merge pull request #352 from phonopy/release 
Set version 3.14.0
 2025-02-07 18:47:51 +09:00
Atsushi Togo 482aec7bd8 Set version 3.14.0 2025-02-07 18:39:22 +09:00
Atsushi Togo 948faad549
Merge pull request #351 from phonopy/estimate-symfc-mem 
Memory usage estimation for fc3 calculation using symfc
 2025-02-06 16:05:38 +09:00
Atsushi Togo 8687e8eeb9 Limit --symfc-memshow option for phono3py-load 2025-02-06 15:47:00 +09:00
Atsushi Togo b70bb6ced4 --symfc-memshow option 2025-02-06 15:42:59 +09:00
Atsushi Togo c7c680df86
Merge pull request #348 from janosh/typos 
Fix typos and add `codespell` `pre-commit` hook to catch future typos
 2025-02-06 09:17:53 +09:00
Atsushi Togo a4ae4d05cd Fix .pre-commit-config.yaml 2025-02-06 09:12:14 +09:00
Janosh Riebesell e0e10db48c
Merge branch 'develop' into typos 2025-02-05 06:59:22 -05:00
Janosh Riebesell fc43730807 restore quotes in yaml config args 2025-02-05 06:25:56 -05:00
Janosh Riebesell e41b86877e missed some more 2025-02-05 05:50:52 -05:00
Janosh Riebesell 9145e47ea1 missed some 2025-02-05 05:47:27 -05:00
Janosh Riebesell 692dcce073 address @atztogo PR comments 2025-02-05 05:41:32 -05:00
Atsushi Togo 1fb5cb4eb9 Merge branch 'develop' 2025-02-05 14:50:49 +09:00
Atsushi Togo c49cfd7a64
Merge pull request #349 from phonopy/release 
Set version 3.13.0
 2025-02-05 14:44:51 +09:00
Atsushi Togo f2b7abde58 Set version 3.13.0 2025-02-05 14:33:53 +09:00
Atsushi Togo 40206bb1b8 Fix overwriting fc3 calc opts by cutoff-pair 2025-02-05 14:31:52 +09:00
Atsushi Togo 4144d97eb4 Update phonopy version dependency 2025-02-05 12:03:06 +09:00
Janosh Riebesell ece67a3201 fix typos and add codespell pre-commit hooks to catch future typos 2025-02-04 13:41:45 -05:00
Janosh Riebesell 00fb3b41f0 auto-format .pre-commit-config.yaml 2025-02-04 13:24:55 -05:00
Atsushi Togo fa6783d3ad
Merge pull request #347 from phonopy/update-rd-test 
Update auto random displacements following the change in phonopy
 2025-02-04 15:40:51 +09:00
Atsushi Togo 38ecb67988 Update auto random displacements following the change in phonopy 2025-02-04 15:30:03 +09:00
Atsushi Togo d8c0a6f999
Merge pull request #346 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2025-02-04 10:14:38 +09:00
pre-commit-ci[bot] 4b07cb1563
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.9.3 → v0.9.4](https://github.com/astral-sh/ruff-pre-commit/compare/v0.9.3...v0.9.4)
 2025-02-04 00:59:19 +00:00
Atsushi Togo d658273c70 Merge branch 'make-wheel-test' into develop 2025-02-01 16:29:43 +09:00
Atsushi Togo c3447376ee Update github action to include windows wheel build 2025-02-01 16:19:25 +09:00
Atsushi Togo 64432ef141 Merge branch 'develop' 2025-02-01 16:15:06 +09:00
Atsushi Togo cacc4428d5
Merge pull request #345 from phonopy/release 
Set version 3.12.2
 2025-02-01 16:13:01 +09:00
Atsushi Togo aca7e14d4e Set version 3.12.2 2025-02-01 16:06:36 +09:00
Atsushi Togo acde28c571
Merge pull request #344 from phonopy/windows 
Fix a bug in computing collision matrix in C
 2025-02-01 16:04:01 +09:00
Atsushi Togo c6f5cab9cb Separate collision matrix function for each gp 2025-02-01 15:51:50 +09:00
Atsushi Togo e3421cf466 With private variable in openmp for collision matrix 2025-02-01 15:37:45 +09:00
Atsushi Togo eb11ab2972 No openmp for collision matrix 2025-02-01 15:33:25 +09:00
Atsushi Togo 788fe10a4a
Merge pull request #343 from phonopy/colmat-solver7 
Colmat solver using np.linalg.pinv
 2025-01-29 11:07:53 +09:00
Atsushi Togo f919792895 Support reducible colmat solver 7 2025-01-29 10:49:39 +09:00
Atsushi Togo 1602254de1 Update log for colmat solver 7 2025-01-29 10:40:37 +09:00
Atsushi Togo fab77d11e2 Colmat solver using np.linalg.pinv(a, hermitian=False) 2025-01-29 10:38:00 +09:00
Atsushi Togo db36845a75 Colmat solver using np.linalg.pinv 2025-01-29 10:31:35 +09:00
Atsushi Togo 30ecb1b697 Merge branch 'develop' 2025-01-28 09:18:35 +09:00
Atsushi Togo 89a851a572
Merge pull request #342 from phonopy/release 
Set version 3.12.1
 2025-01-28 09:16:23 +09:00
Atsushi Togo 6f07e11a49
Merge pull request #341 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2025-01-28 09:11:37 +09:00
Atsushi Togo c4818e9ea2 Set version 3.12.1 2025-01-28 09:08:36 +09:00
Atsushi Togo 86da9ca73a Merge branch 'develop' 2025-01-28 09:04:17 +09:00
pre-commit-ci[bot] eef47946a1
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.9.2 → v0.9.3](https://github.com/astral-sh/ruff-pre-commit/compare/v0.9.2...v0.9.3)
 2025-01-28 00:01:00 +00:00
Atsushi Togo 6a834a33d0
Merge pull request #340 from phonopy/release 
Set version 3.12.0
 2025-01-28 08:56:47 +09:00
Atsushi Togo 5633c4ebed Set version 3.12.0 2025-01-28 08:48:35 +09:00
Atsushi Togo 94caacaced
Merge pull request #339 from phonopy/make-wheel-test 
Make wheels for test-PyPI
 2025-01-27 16:50:28 +09:00
Atsushi Togo 6784edcae2 Make wheels for test-PyPI 2025-01-27 16:43:26 +09:00
Atsushi Togo b0e26747f6
Merge pull request #338 from phonopy/long-to-int64 
c-long was changed to int64_t.
 2025-01-27 10:04:57 +09:00
Atsushi Togo 3281cc26e3 Merge branch 'windows' into long-to-int64 2025-01-27 09:55:23 +09:00