Commit Graph

2272 Commits

Author SHA1 Message Date
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 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 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
Atsushi Togo 591c8224f3 Merge branch 'develop' of github.com:atztogo/phono3py into develop 2024-09-04 17:38:06 +09:00
Atsushi Togo 9fa805b1b5 Refactoring of calculation using pypolymlp 2024-09-04 17:29:31 +09:00
Atsushi Togo b7fea1a068 Update for reading pypolymlp MLPs from file 2024-09-03 20:12:59 +09:00
Atsushi Togo f38a704c40
Merge pull request #270 from phonopy/pre-commit-ci-update-config
[pre-commit.ci] pre-commit autoupdate
2024-09-03 10:24:51 +09:00
pre-commit-ci[bot] 2457584692
[pre-commit.ci] pre-commit autoupdate
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.6.2 → v0.6.3](https://github.com/astral-sh/ruff-pre-commit/compare/v0.6.2...v0.6.3)
2024-09-02 23:08:39 +00:00
Atsushi Togo 78d901312f
Merge pull request #269 from phonopy/show-interface
Display interface mode in CLI
2024-09-01 09:22:06 +09:00
Atsushi Togo 3eaa76fa2c Display interface mode in CLI 2024-08-31 21:58:57 +09:00
Atsushi Togo dd4c43ab10 Merge branch 'develop' of github.com:phonopy/phono3py into develop 2024-08-31 20:14:22 +09:00
Atsushi Togo 4595c30ddf
Merge pull request #268 from phonopy/pre-commit-ci-update-config
[pre-commit.ci] pre-commit autoupdate
2024-08-27 09:30:03 +09:00
pre-commit-ci[bot] f34764604a
[pre-commit.ci] pre-commit autoupdate
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.6.1 → v0.6.2](https://github.com/astral-sh/ruff-pre-commit/compare/v0.6.1...v0.6.2)
2024-08-26 23:34:25 +00:00
Atsushi Togo feb22c22c1 Prefer symbols to numbers when creating PhonopyAtoms 2024-08-25 17:17:37 +09:00
Atsushi Togo 56b1d7885c Update version in doc 2024-08-24 16:02:01 +09:00
Atsushi Togo 20d7c86621 Merge branch 'develop' 2024-08-23 22:37:53 +09:00
Atsushi Togo 372f7cadde
Merge pull request #267 from phonopy/release
Set version 3.4
2024-08-23 22:34:52 +09:00
Atsushi Togo b49f55d306 Set version 3.4 2024-08-23 22:22:28 +09:00
Atsushi Togo e0d68109a3
Merge pull request #266 from phonopy/spglib-v2_5
Update to follow phonopy update for spglib v2.5
2024-08-23 11:50:59 +09:00
Atsushi Togo e058270b6f Update to follow phonopy update for spglib v2.5 2024-08-23 11:30:14 +09:00
Atsushi Togo 33e9dfed7b
Merge pull request #265 from phonopy/pre-commit-ci-update-config
[pre-commit.ci] pre-commit autoupdate
2024-08-20 09:14:12 +09:00
pre-commit-ci[bot] f2b3718435
[pre-commit.ci] pre-commit autoupdate
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.5.7 → v0.6.1](https://github.com/astral-sh/ruff-pre-commit/compare/v0.5.7...v0.6.1)
2024-08-19 23:09:18 +00:00
Atsushi Togo eecf94beb3
Merge pull request #264 from phonopy/pre-commit-ci-update-config
[pre-commit.ci] pre-commit autoupdate
2024-08-13 10:37:27 +09:00
pre-commit-ci[bot] 56d27b0768
[pre-commit.ci] pre-commit autoupdate
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.5.6 → v0.5.7](https://github.com/astral-sh/ruff-pre-commit/compare/v0.5.6...v0.5.7)
2024-08-12 23:08:53 +00:00
Atsushi Togo e728478874 Minor updates following phonopy update 2024-08-11 17:19:24 +09:00
Atsushi Togo b828d78241 Merge branch 'develop' 2024-08-08 11:21:42 +09:00
Atsushi Togo 648aceac10 Update doc 2024-08-08 11:19:11 +09:00
Atsushi Togo 9f6c850403
Merge pull request #263 from phonopy/release
Release v3.3.4
2024-08-08 10:01:17 +09:00
Atsushi Togo 2790897b1c Release v3.3.4 2024-08-08 09:50:50 +09:00
Atsushi Togo 9f7097c277
Merge pull request #262 from phonopy/update-readme
Update README.md in examples and fix CLI bugs
2024-08-08 09:46:31 +09:00
Atsushi Togo 2a26f0b6da Fix unit conversion for dataset 2024-08-07 22:52:11 +09:00