scnc
/
phono3py
mirror of https://github.com/phonopy/phono3py.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
2,459 Commits 6 Branches 83 Tags 67 MiB
Commit Graph

2459 Commits

Author SHA1 Message Date
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
Atsushi Togo 4eeb1e4d4f Update github action for build-windows 2025-01-27 09:48:01 +09:00
Atsushi Togo 942b1f5e01 c-long was changed to int64_t. 2025-01-26 21:29:32 +09:00
Atsushi Togo d024ecb4c0 Merge branch 'windows' into develop 2025-01-26 19:27:50 +09:00
Atsushi Togo b81d56c2f3 Merge branch 'macos' into develop 2025-01-26 19:26:42 +09:00
Atsushi Togo 54a18f1af2 Add github action test on windows 2025-01-26 19:18:51 +09:00
Atsushi Togo 5315df39c0 Add github action test on macos 2025-01-26 19:14:23 +09:00
Atsushi Togo 8f4f48cadc
Merge pull request #336 from phonopy/pypolymlp 
Change default disp-distance for pypolymlp
 2025-01-22 07:16:35 +09:00
Atsushi Togo 24621c81fa
Merge pull request #337 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2025-01-21 10:41:56 +09:00
pre-commit-ci[bot] 6bf78730b2
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.9.1 → v0.9.2](https://github.com/astral-sh/ruff-pre-commit/compare/v0.9.1...v0.9.2)
 2025-01-20 23:54:08 +00:00
Atsushi Togo 2a9fd71e53 Change default disp-distance for pypolymlp 2025-01-19 18:25:58 +09:00
Atsushi Togo b8677363b2 Minor change of displaying pypolymlp params 2025-01-19 14:52:31 +09:00
Atsushi Togo 988354a346 Update to support cutoff of symfc for fc3 2025-01-18 22:54:22 +09:00
Atsushi Togo d4f1b0d87c Merge branch 'develop' 2025-01-18 20:09:36 +09:00
Atsushi Togo f129c5a6d1
Merge pull request #334 from phonopy/release 
Set version 3.11.2
 2025-01-18 19:34:30 +09:00
Atsushi Togo ee213e9395 Set version 3.11.2 2025-01-18 19:20:36 +09:00
Atsushi Togo b6d961ea50 Merge branch 'make-wheel-test' into develop 2025-01-18 12:48:23 +09:00
Atsushi Togo 845e5e5418 Update github workflow to build wheels 2025-01-18 12:42:07 +09:00
Atsushi Togo ba101f1b52 Update github workflow to build wheels 2025-01-18 12:37:35 +09:00
Atsushi Togo 4489781af1 Update github workflow to build wheels 2025-01-18 12:28:21 +09:00
Atsushi Togo 2d9b233c74 Add github workflow to build wheels 2025-01-18 12:10:40 +09:00
Atsushi Togo befc1fdba0 Refactoring of kaccum_script.py 2025-01-16 12:45:56 +09:00
Atsushi Togo 90c600c61b Fix kaccum_script 2025-01-15 21:46:22 +09:00
Atsushi Togo c64aefd726 Update pypolymlp interface documentation 2025-01-15 19:36:24 +09:00
Atsushi Togo 394e7e0601
Merge pull request #332 from phonopy/refactoring 
Refactor CUI for using pypolymlp
 2025-01-15 19:05:35 +09:00
Atsushi Togo bbd238090a Update a test due to the change of default behaviour 2025-01-15 18:10:29 +09:00
Atsushi Togo a66f59ac47 Symfc is used to handle random displacements unless specified in CUI. 2025-01-15 17:00:53 +09:00