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phono3py
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2303 Commits

Author SHA1 Message Date
Atsushi Togo 2fe8234176 Merge branch 'develop' into rc 2024-11-03 18:05:09 +09:00
Atsushi Togo 6101e08a5a
Merge pull request #290 from phonopy/release 
Set version 3.6.0
 2024-11-03 16:11:49 +09:00
Atsushi Togo 1a106fdee9 Set version 3.6.0 2024-11-03 15:27:50 +09:00
Atsushi Togo 65ea4de9dc
Merge pull request #289 from phonopy/update-phonopy-version-dep 
Update phonopy version dependenty
 2024-10-29 10:22:01 +09:00
Atsushi Togo bbaa1cdd47 Update phonopy version dependenty 2024-10-29 10:13:42 +09:00
Atsushi Togo b990c65ca5
Merge pull request #287 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2024-10-22 09:23:26 +09:00
pre-commit-ci[bot] fc0d833368
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.6.9 → v0.7.0](https://github.com/astral-sh/ruff-pre-commit/compare/v0.6.9...v0.7.0)
 2024-10-21 23:49:17 +00:00
Atsushi Togo 72d125c045
Merge pull request #286 from phonopy/parse-force-with-position-check 
Parse forces with displacement position check
 2024-10-09 13:30:06 +09:00
Atsushi Togo 6c183fcd4b Parse forces with displacement position check 2024-10-09 13:21:57 +09:00
Atsushi Togo 3f1acb26e5
Merge pull request #285 from phonopy/test-with-pypolymlp 
pytest with pypolymlp on github workflow
 2024-10-09 10:20:19 +09:00
Atsushi Togo 9fbaaacb42 pytest with pypolymlp on github workflow 2024-10-09 10:12:39 +09:00
Atsushi Togo 170ebde32c pytest with pypolymlp on github workflow 2024-10-09 10:07:32 +09:00
Atsushi Togo fa76941182 pytest with pypolymlp on github workflow 2024-10-09 10:02:26 +09:00
Atsushi Togo 7ed6007be4 pytest with pypolymlp on github workflow 2024-10-09 09:57:12 +09:00
Atsushi Togo ac396c0e8f
Merge pull request #284 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2024-10-08 14:22:18 +09:00
pre-commit-ci[bot] 8f8c59965c
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/pre-commit/pre-commit-hooks: v4.6.0 → v5.0.0](https://github.com/pre-commit/pre-commit-hooks/compare/v4.6.0...v5.0.0)
- [github.com/astral-sh/ruff-pre-commit: v0.6.7 → v0.6.9](https://github.com/astral-sh/ruff-pre-commit/compare/v0.6.7...v0.6.9)
 2024-10-08 01:29:51 +00:00
Atsushi Togo d8490c88c6 Fix formulae of Gamma in command-option doc 2024-09-28 11:27:31 +09:00
Atsushi Togo 26602a73db Update pypolymlp doc 2024-09-26 13:52:56 +09:00
Atsushi Togo fd6c461894 Merge branch 'develop' 2024-09-24 10:45:50 +09:00
Atsushi Togo 73ddc4e29e Merge branch 'develop' into rc 2024-09-24 10:42:44 +09:00
Atsushi Togo f411c0330f
Merge pull request #280 from phonopy/release 
Set version 3.5.2
 2024-09-24 10:42:09 +09:00
Atsushi Togo ba38ca13e3 Set version 3.5.2 2024-09-24 10:34:28 +09:00
Atsushi Togo 520fdf665e
Merge pull request #279 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2024-09-24 10:10:47 +09:00
pre-commit-ci[bot] 4d30244a73
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.6.5 → v0.6.7](https://github.com/astral-sh/ruff-pre-commit/compare/v0.6.5...v0.6.7)
 2024-09-23 23:30:16 +00:00
Atsushi Togo bd1634059a
Merge pull request #278 from phonopy/fix-memoryleak 
Fix memory leak
 2024-09-23 22:11:54 +09:00
Atsushi Togo ff925180ea Fix memory leak 2024-09-23 21:24:13 +09:00
Atsushi Togo 8d3889d9c9 Merge branch 'pypolymlp-doc' into develop 2024-09-20 14:25:30 +09:00
Atsushi Togo 650adff94d Update pypolymlp doc 2024-09-20 14:25:17 +09:00
Atsushi Togo 7159633ac1 Update pypolymlp doc 2024-09-20 14:17:47 +09:00
Atsushi Togo b5727ef8e8 Update pypolymlp doc 2024-09-19 17:36:23 +09:00
Atsushi Togo e623d721b4 Merge branch 'develop' 2024-09-19 16:46:33 +09:00
Atsushi Togo f75ebf3ce9 Merge branch 'develop' into rc 2024-09-19 16:45:04 +09:00
Atsushi Togo 090011acea
Merge pull request #277 from phonopy/release 
Set version 3.5.1
 2024-09-19 16:43:37 +09:00
Atsushi Togo 7b5a3a400e Set version 3.5.1 2024-09-19 16:29:22 +09:00
Atsushi Togo bae5c7a359
Merge pull request #276 from phonopy/pypolymlp-doc 
Add document for pypolymlp interface
 2024-09-19 16:25:10 +09:00
Atsushi Togo 2fb353f4b5 Add document for pypolymlp interface 2024-09-19 16:14:53 +09:00
Atsushi Togo 912584c907
Merge pull request #275 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2024-09-17 09:49:02 +09:00
pre-commit-ci[bot] 7406e3100e
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.6.4 → v0.6.5](https://github.com/astral-sh/ruff-pre-commit/compare/v0.6.4...v0.6.5)
 2024-09-16 23:19:44 +00:00
Atsushi Togo a3d7d26a80 Merge branch 'develop' 2024-09-13 16:04:13 +09:00
Atsushi Togo cf89c01af2 Merge branch 'develop' into rc 2024-09-13 15:51:35 +09:00
Atsushi Togo 575c4107ed
Merge pull request #274 from phonopy/release 
Set version 3.5.0
 2024-09-13 15:34:02 +09:00
Atsushi Togo 704de3e4d0 Set version 3.5.0 2024-09-13 15:09:53 +09:00
Atsushi Togo 5bfbc419a7
Merge pull request #273 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2024-09-10 08:40:45 +09:00
pre-commit-ci[bot] cd61548dba
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.6.3 → v0.6.4](https://github.com/astral-sh/ruff-pre-commit/compare/v0.6.3...v0.6.4)
 2024-09-09 23:14:46 +00:00
Atsushi Togo b2444aed5e
Merge pull request #272 from phonopy/pypolymlp 
Separate detail of Phono3py.develop_mlp() into a function in phonopy
 2024-09-05 16:46:32 +09:00
Atsushi Togo 9b23427cbf Separate detail of Phono3py.develop_mlp() into a function in phonopy 2024-09-05 16:38:13 +09:00
Atsushi Togo 853e3ce02b
Merge pull request #271 from phonopy/pmlp-cli-test 
Add pypolymlp CLI test
 2024-09-05 13:21:35 +09:00
Atsushi Togo 998a660e6a Fix github workflows 2024-09-05 13:14:21 +09:00
Atsushi Togo 92932847d6 Fix test 2024-09-05 13:08:31 +09:00
Atsushi Togo a178e369fb Add pypolymlp CLI test 2024-09-05 10:58:29 +09:00