Commit Graph

  • 3abc632ec1 Zero clear of buffer #394 Atsushi Togo 2025-06-11 12:37:15 +0900
  • eefca3798d Run test for debug on github Atsushi Togo 2025-06-11 10:54:13 +0900
  • cedd2477d8 Remove unused variables Atsushi Togo 2025-06-11 09:59:15 +0900
  • 29cda14982 Replace memset Atsushi Togo 2025-06-11 09:56:42 +0900
  • 5f75510927 Introduce memorization in eciprocal_to_normal for performance optimization Atsushi Togo 2025-06-11 09:44:34 +0900
  • a3b8ad3dbd
    Merge pull request #392 from phonopy/fix-distance-in-BZ Atsushi Togo 2025-06-10 18:41:28 +0900
  • 71bb34aa4a Fix distance calculation in BZ #392 Atsushi Togo 2025-06-10 18:32:13 +0900
  • ea1d083056
    Merge pull request #391 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-06-10 10:28:21 +0900
  • 13c83d6d6a
    [pre-commit.ci] pre-commit autoupdate #391 pre-commit-ci[bot] 2025-06-09 20:42:14 +0000
  • 2d30f9baf0 Fix comment in reciprocal_to_normal.c Atsushi Togo 2025-06-09 16:05:46 +0900
  • 8bf63c030c
    Merge pull request #390 from phonopy/fc3-cutoff-in-fdf5 Atsushi Togo 2025-06-06 18:23:30 +0900
  • 3eab5fbcbe Add fc3_cutoff entry in fc3.hdf5 #390 Atsushi Togo 2025-06-06 18:14:19 +0900
  • 2e67d46379
    Merge pull request #389 from phonopy/fc3-non-zero-indices Atsushi Togo 2025-06-06 13:21:17 +0900
  • cbd410ac4c Run ph-ph interaction calculation with fc3-nonzero-indices #389 Atsushi Togo 2025-06-06 13:05:44 +0900
  • 748a9692aa
    Merge pull request #388 from phonopy/refactor-read-write-fc3-fc2 Atsushi Togo 2025-06-05 18:15:17 +0900
  • 48f52c762c Refactor reading and writing fc2 and fc3 #388 Atsushi Togo 2025-06-05 18:07:18 +0900
  • 83a96ebce6 Minor refactoring Atsushi Togo 2025-06-05 17:13:45 +0900
  • ca30fcc101 Minor refactoring Atsushi Togo 2025-06-05 16:56:37 +0900
  • c4a70293d2
    Merge pull request #387 from phonopy/fc3-nonzero-indices Atsushi Togo 2025-06-05 16:34:52 +0900
  • 731ea60afe Update test_phono3py_load_with_typeII_dataset #387 Atsushi Togo 2025-06-05 16:27:14 +0900
  • 2732a1a0f0 Write fc3_nonzero_indices in fc3.hdf5 Atsushi Togo 2025-06-05 16:23:26 +0900
  • d202f2c27b
    Merge pull request #386 from phonopy/fc3-nonzero-indices Atsushi Togo 2025-06-04 17:50:16 +0900
  • 8d0db5c396 Add Phono3py.fc3_nonzero_indices #386 Atsushi Togo 2025-06-04 17:40:45 +0900
  • 03a26d1b6d Add self._fc3_nonzero_elems in API Atsushi Togo 2025-06-03 18:09:34 +0900
  • 6a1a1a984a
    Merge pull request #385 from phonopy/refactor-conductivity Atsushi Togo 2025-06-03 15:40:42 +0900
  • 238c537f31 [refactoring of conductivity] Wigner LBTE #385 Atsushi Togo 2025-06-03 15:28:28 +0900
  • 300e08d1d3 [refactoring of conductivity] Wigner RTA Atsushi Togo 2025-06-03 14:42:57 +0900
  • 28dc226ee9
    Merge pull request #384 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-06-03 10:51:48 +0900
  • 91c9c5c619
    [pre-commit.ci] pre-commit autoupdate #384 pre-commit-ci[bot] 2025-06-02 21:00:32 +0000
  • 8be1b4cf95 [refactoring of conductivity] LBTE full-colmat Atsushi Togo 2025-06-02 17:00:09 +0900
  • 18dac50c78 [refactoring of conductivity] LBTE Atsushi Togo 2025-06-02 08:48:54 +0900
  • bcc4227415 [refactoring of conductivity] RTA Atsushi Togo 2025-06-02 08:26:59 +0900
  • 39f4d09e24
    Merge pull request #383 from phonopy/typehints Atsushi Togo 2025-06-01 18:13:46 +0900
  • 7122307413 Minor fix for type annotation #383 Atsushi Togo 2025-06-01 09:20:15 +0900
  • d0101dbb4b Improve type hints Atsushi Togo 2025-05-30 17:30:24 +0900
  • 91ae3b89fc
    Merge pull request #382 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-05-27 07:21:28 +0900
  • 8a606ebf13
    [pre-commit.ci] pre-commit autoupdate #382 pre-commit-ci[bot] 2025-05-26 20:43:46 +0000
  • b2295c1a09 deploy: 5203c502d4 atztogo 2025-05-20 10:31:49 +0000
  • d86b3ed24d Update document to read pp-*.hdf5 and handling triplets Atsushi Togo 2025-05-20 19:30:21 +0900
  • 9fc5186267 Update document to read pp-*.hdf5 and handling triplets Atsushi Togo 2025-05-20 19:20:24 +0900
  • 16957da192
    Merge pull request #381 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-05-20 07:24:37 +0900
  • d8b2a2cd83
    [pre-commit.ci] pre-commit autoupdate #381 pre-commit-ci[bot] 2025-05-19 20:45:28 +0000
  • 8d0785c191 Minor fix Atsushi Togo 2025-05-17 18:56:51 +0900
  • bacf5c2c5f Minor fix Atsushi Togo 2025-05-17 18:06:11 +0900
  • 8ed85bff78
    Merge pull request #379 from phonopy/symfc-memsize Atsushi Togo 2025-05-17 11:22:16 +0900
  • e10b20260a Refine behaviour of symfc-memsize #379 Atsushi Togo 2025-05-16 22:35:48 +0900
  • 4a735f317e
    Merge pull request #378 from phonopy/option-memsize Atsushi Togo 2025-05-16 13:19:09 +0900
  • cc0879dde0 Add tests #378 Atsushi Togo 2025-05-16 08:54:22 +0900
  • 426a193729 Support memsize displacement generation for MLP Atsushi Togo 2025-05-16 06:44:20 +0900
  • f465e6ebab Refactoring of handling fc_calculator and cutoff input strings Atsushi Togo 2025-05-15 12:18:25 +0900
  • e350a93a79 Add CUI option for rd=auto along with symfc memsize Atsushi Togo 2025-05-15 08:41:12 +0900
  • 2a6239979c
    Merge pull request #377 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-05-13 09:17:29 +0900
  • d9e1a6c834
    [pre-commit.ci] pre-commit autoupdate #377 pre-commit-ci[bot] 2025-05-12 20:38:08 +0000
  • 8ccb13b081
    Merge pull request #376 from phonopy/symfc Atsushi Togo 2025-05-11 18:12:54 +0900
  • e078306390 Update symfc wrapper to implement cutoff estimation by memory limit #376 Atsushi Togo 2025-05-11 18:03:37 +0900
  • 6521e406c5 Merge branch 'develop' of github.com:phonopy/phono3py into develop Atsushi Togo 2025-05-06 11:16:29 +0900
  • 3ad068b34a Show pypolymlp version Atsushi Togo 2025-05-06 11:16:19 +0900
  • 00d5ef756b
    Merge pull request #375 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-05-06 11:00:06 +0900
  • d5c88263d5
    [pre-commit.ci] pre-commit autoupdate #375 pre-commit-ci[bot] 2025-05-05 20:56:40 +0000
  • b64f3813e8 deploy: cf781ea480 atztogo 2025-04-30 12:39:20 +0000
  • cf781ea480 Merge branch 'develop' into publish-gh-pages Atsushi Togo 2025-04-30 21:37:46 +0900
  • f0c26cec8a Merge branch 'develop' v3.15.1 Atsushi Togo 2025-04-30 21:36:49 +0900
  • 9ff2c4088f Merge branch 'develop' into rc Atsushi Togo 2025-04-30 21:35:01 +0900
  • 2e4c0b5d69
    Merge pull request #374 from phonopy/release Atsushi Togo 2025-04-30 21:34:17 +0900
  • a548f2269e Set version 3.15.1 #374 Atsushi Togo 2025-04-30 21:17:20 +0900
  • da0bcbbceb
    Merge pull request #373 from phonopy/KB_in_C Atsushi Togo 2025-04-30 07:24:15 +0900
  • 855ce1c3c2 Remove unit conversion factor in C routines #373 Atsushi Togo 2025-04-29 22:31:05 +0900
  • 6264dc5e35
    Merge pull request #372 from phonopy/physical-unit Atsushi Togo 2025-04-29 19:56:36 +0900
  • 7c0b4a2d0e Migration of the physical units system #372 Atsushi Togo 2025-04-29 09:36:31 +0900
  • c171367edd
    Merge pull request #371 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-04-29 08:35:56 +0900
  • ebde72e495
    [pre-commit.ci] pre-commit autoupdate #371 pre-commit-ci[bot] 2025-04-28 20:38:58 +0000
  • 834d644971
    Merge pull request #370 from phonopy/kubo Atsushi Togo 2025-04-25 11:58:41 +0900
  • aa2c973be3 Refactor kubo #370 Atsushi Togo 2025-04-25 11:29:25 +0900
  • bd04df7447
    Merge pull request #369 from phonopy/refactor-conductivity Atsushi Togo 2025-04-25 09:42:24 +0900
  • fe9d56135b Refactoring of conductivity code #369 Atsushi Togo 2025-04-24 18:20:36 +0900
  • 4997506087 [pre-commit.ci] auto fixes from pre-commit.com hooks #368 pre-commit-ci[bot] 2025-04-22 13:44:49 +0000
  • 57c4c2c7bf CP2K support ladyteam 2025-04-22 16:03:08 +0300
  • fcefaf6fc9
    Merge pull request #367 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-04-22 07:47:15 +0900
  • 549b45aa7a
    [pre-commit.ci] pre-commit autoupdate #367 pre-commit-ci[bot] 2025-04-21 20:28:14 +0000
  • 16d2caae93
    Merge pull request #366 from phonopy/fix-set_forces_and_nac_params Atsushi Togo 2025-04-21 16:20:26 +0900
  • 2edbeadd3e Fix _set_forces_and_nac_params #366 Atsushi Togo 2025-04-21 16:07:39 +0900
  • fbdf8f9df7
    Merge pull request #365 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-04-15 08:01:43 +0900
  • 7c23c34d7c
    [pre-commit.ci] pre-commit autoupdate #365 pre-commit-ci[bot] 2025-04-14 20:37:46 +0000
  • f596ec86a1
    Merge pull request #364 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-04-08 13:58:04 +0900
  • 8d6f228d91
    [pre-commit.ci] pre-commit autoupdate #364 pre-commit-ci[bot] 2025-04-07 21:21:14 +0000
  • 285140c4ec
    Merge pull request #363 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-03-25 10:10:59 +0900
  • 29018ceb97
    [pre-commit.ci] pre-commit autoupdate #363 pre-commit-ci[bot] 2025-03-24 20:47:42 +0000
  • 3b77084931
    Merge pull request #362 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-03-18 09:08:35 +0900
  • 138103ba68
    [pre-commit.ci] pre-commit autoupdate #362 pre-commit-ci[bot] 2025-03-17 20:55:25 +0000
  • 204bd4db33
    Merge pull request #361 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-03-11 16:01:05 +0900
  • c7570cc4b8
    [pre-commit.ci] pre-commit autoupdate #361 pre-commit-ci[bot] 2025-03-10 20:49:08 +0000
  • 221ceabdbb deploy: c3f2752674 atztogo 2025-03-04 06:05:29 +0000
  • c3f2752674 Merge branch 'develop' into publish-gh-pages Atsushi Togo 2025-03-04 15:04:09 +0900
  • 7806f7eb67 Merge branch 'develop' v3.15.0 Atsushi Togo 2025-03-04 13:47:02 +0900
  • 4fffc75224 Merge branch 'develop' into rc Atsushi Togo 2025-03-04 13:20:46 +0900
  • 806bad7663
    Merge pull request #360 from phonopy/release Atsushi Togo 2025-03-04 13:20:12 +0900
  • 5817ef240c Set version 3.15.0 #360 Atsushi Togo 2025-03-04 13:10:42 +0900
  • 613322f7e7
    Merge pull request #359 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-03-04 08:05:16 +0900
  • 359e76e0db
    [pre-commit.ci] pre-commit autoupdate #359 pre-commit-ci[bot] 2025-03-03 21:26:22 +0000
  • b22639ee1d Update pyrpoject.toml Atsushi Togo 2025-03-03 12:13:38 +0900