scnc
/
phono3py
mirror of https://github.com/phonopy/phono3py.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
2,160 Commits 6 Branches 83 Tags 67 MiB
Commit Graph

2160 Commits

Author SHA1 Message Date
Atsushi Togo 2b5b6f6d0b Initial attempt to migrate to nanobind 2024-07-07 10:55:19 +09:00
Atsushi Togo 3e01240a56
Merge pull request #246 from phonopy/test-size 
Add test-size option to develop_mlp
 2024-07-02 12:49:37 +09:00
Atsushi Togo 16ac825632 Add test-size option to develop_mlp 2024-07-02 12:15:48 +09:00
Atsushi Togo fbdff4c01b
Merge pull request #245 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2024-07-02 10:37:26 +09:00
pre-commit-ci[bot] 0946593ed0
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.4.10 → v0.5.0](https://github.com/astral-sh/ruff-pre-commit/compare/v0.4.10...v0.5.0)
 2024-07-02 01:14:38 +00:00
Atsushi Togo 6ae8b6641b Merge branch 'rc' 2024-06-29 21:49:25 +09:00
Atsushi Togo 14807db1f7 Merge branch 'develop' into rc 2024-06-29 21:46:52 +09:00
Atsushi Togo eadc4abccf Set version 3.2.0 2024-06-29 21:46:33 +09:00
Atsushi Togo 456871cb12
Merge pull request #244 from phonopy/rd 
Command options for generating random directional displacements
 2024-06-29 21:40:02 +09:00
Atsushi Togo a981a04858 Command options for generating random directional displacements 2024-06-29 20:00:53 +09:00
Atsushi Togo 628b4fb487
Merge pull request #243 from phonopy/pypolymlp 
Update pypolymlp feature
 2024-06-29 17:01:38 +09:00
Atsushi Togo 4f95be3e83 Update phonopy version dependency 2024-06-29 16:47:11 +09:00
Atsushi Togo e57e1c56bf Update pypolymlp feature 2024-06-29 16:33:15 +09:00
Atsushi Togo 9eb95a7482 Loosen test tolerance 2024-06-28 20:21:19 +09:00
Atsushi Togo a755760c7c Minor update of force constants calculator interface 2024-06-28 19:04:21 +09:00
Atsushi Togo 49d4c3a700
Merge pull request #242 from phonopy/pypolymlp 
Update pypolymlp feature
 2024-06-28 16:26:40 +09:00
Atsushi Togo 3d493202c4 Update pypolymlp feature 2024-06-28 16:09:36 +09:00
Atsushi Togo 20a4021fd7 Update pypolymlp feature 2024-06-28 15:45:12 +09:00
Atsushi Togo 8d7f41485b
Merge pull request #241 from phonopy/pypolymlp 
Add option for produce_fc3 using pypolymlp
 2024-06-26 23:02:20 +09:00
Atsushi Togo 1550b912f8 Add option for produce_fc3 using pypolymlp 2024-06-26 22:27:49 +09:00
Atsushi Togo ae612d49c7
Merge pull request #240 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2024-06-25 08:20:48 +09:00
pre-commit-ci[bot] ccb81905c0 [pre-commit.ci] auto fixes from pre-commit.com hooks 
for more information, see https://pre-commit.ci
 2024-06-24 23:02:37 +00:00
pre-commit-ci[bot] b7099c53b6
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.1.13 → v0.4.10](https://github.com/astral-sh/ruff-pre-commit/compare/v0.1.13...v0.4.10)
 2024-06-24 23:02:20 +00:00
Atsushi Togo c0dfe172ae Update README.md 2024-06-21 14:20:10 +09:00
Atsushi Togo e7899876f6
Merge pull request #239 from phonopy/ruff 
Migrate to ruff
 2024-06-21 14:05:14 +09:00
Atsushi Togo 7a83fdfb32 Migrate to ruff 2024-06-21 13:49:24 +09:00
Atsushi Togo 28bfc2cc75 Minor update for symfc log 2024-06-19 20:45:05 +09:00
Atsushi Togo 781c96c212 Merge branch 'rc' 2024-06-19 19:59:11 +09:00
Atsushi Togo 080ba033c7 Merge branch 'develop' into rc 2024-06-19 19:56:41 +09:00
Atsushi Togo a796928d81 Set version 3.1.2 2024-06-19 19:56:29 +09:00
Atsushi Togo ffcff9e0f1 Merge branch 'develop' into rc 2024-06-19 19:50:56 +09:00
Atsushi Togo 606407b459
Merge pull request #238 from phonopy/symfc 
Preliminary support of symfc
 2024-06-19 15:48:11 +09:00
Atsushi Togo ce96f84f92 Update github workflows to use symfc 2024-06-19 15:30:27 +09:00
Atsushi Togo 936e3af709 Support symfc 2024-06-19 15:05:39 +09:00
Atsushi Togo 97a0305391
Merge pull request #237 from phonopy/numpy2 
Update for numpy 2.0
 2024-06-19 10:55:07 +09:00
Atsushi Togo 935e65bd11 Update for numpy 2.0 2024-06-19 10:44:22 +09:00
Atsushi Togo 32cab8a5a5
Merge pull request #236 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2024-06-18 08:58:05 +09:00
pre-commit-ci[bot] 8801f02496
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/pycqa/flake8: 7.0.0 → 7.1.0](https://github.com/pycqa/flake8/compare/7.0.0...7.1.0)
 2024-06-17 23:16:22 +00:00
Atsushi Togo bfb4eae80e Merge branch 'rc' into develop 2024-06-07 16:40:33 +09:00
Atsushi Togo 10b04a06f8 Merge branch 'rc' 2024-06-07 16:36:57 +09:00
Atsushi Togo c370218fea Merge branch 'develop' into rc 2024-06-07 16:34:31 +09:00
Atsushi Togo c834aa28e0
Merge pull request #234 from phonopy/fix-typehint 
Set version v3.1.1
 2024-06-07 16:20:04 +09:00
Atsushi Togo 5479459e51 Set version v3.1.1 2024-06-07 16:10:16 +09:00
Atsushi Togo 5d1efbcf30 Merge branch 'rc' into develop 2024-06-07 14:26:42 +09:00
Atsushi Togo cd704e073f Merge branch 'rc' 2024-06-07 14:25:47 +09:00
Atsushi Togo 44b80f60f9 Merge branch 'develop' into rc 2024-06-07 14:22:52 +09:00
Atsushi Togo 6de7b822b4
Merge pull request #233 from phonopy/release-3.1.0 
Set version v3.1.0
 2024-06-07 11:54:42 +09:00
Atsushi Togo 012a24918e Set version v3.1.0 2024-06-07 11:45:42 +09:00
Atsushi Togo f8bf6f40b3 Merge branch 'rc' into develop 2024-06-07 08:32:18 +09:00
Atsushi Togo e3478cabcf Merge branch 'rc' 2024-06-07 08:31:19 +09:00