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  • d4f1b0d87c Merge branch 'develop' v3.11.2 Atsushi Togo 2025-01-18 20:09:36 +0900
  • 7e03c18807 Merge branch 'develop' into rc Atsushi Togo 2025-01-18 19:35:09 +0900
  • f129c5a6d1
         Merge pull request #334 from phonopy/release Atsushi Togo 2025-01-18 19:34:30 +0900
  • ee213e9395 Set version 3.11.2 #334 Atsushi Togo 2025-01-18 19:20:36 +0900
  • b6d961ea50 Merge branch 'make-wheel-test' into develop Atsushi Togo 2025-01-18 12:48:23 +0900
  • 845e5e5418 Update github workflow to build wheels Atsushi Togo 2025-01-18 12:42:07 +0900
  • ba101f1b52 Update github workflow to build wheels Atsushi Togo 2025-01-18 12:37:35 +0900
  • 4489781af1 Update github workflow to build wheels Atsushi Togo 2025-01-18 12:28:21 +0900
  • 2d9b233c74 Add github workflow to build wheels Atsushi Togo 2025-01-18 12:10:40 +0900
  • befc1fdba0 Refactoring of kaccum_script.py Atsushi Togo 2025-01-16 12:45:56 +0900
  • 90c600c61b Fix kaccum_script Atsushi Togo 2025-01-15 21:46:22 +0900
  • c64aefd726 Update pypolymlp interface documentation Atsushi Togo 2025-01-15 19:36:24 +0900
  • 394e7e0601
         Merge pull request #332 from phonopy/refactoring Atsushi Togo 2025-01-15 19:05:35 +0900
  • bbd238090a Update a test due to the change of default behaviour #332 Atsushi Togo 2025-01-15 18:10:29 +0900
  • a66f59ac47 Symfc is used to handle random displacements unless specified in CUI. Atsushi Togo 2025-01-15 17:00:53 +0900
  • bd9cfd81c7 Minor fix of run_mode Atsushi Togo 2025-01-15 16:42:42 +0900
  • 9587735e29 Made possible to specify -d option for phono3py-load Atsushi Togo 2025-01-15 16:21:40 +0900
  • 2f91fea9cf Refactor CUI for using pypolymlp Atsushi Togo 2025-01-15 16:15:37 +0900
  • 4ac2d788f3
         Merge pull request #331 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-01-14 11:12:11 +0900
  • 33522bda1a [pre-commit.ci] auto fixes from pre-commit.com hooks #331 pre-commit-ci[bot] 2025-01-14 00:34:47 +0000
  • 705ade84f8
         [pre-commit.ci] pre-commit autoupdate pre-commit-ci[bot] 2025-01-14 00:34:39 +0000
  • d5f48c0ed2 Merge branch 'develop' of github.com:phonopy/phono3py into develop Atsushi Togo 2025-01-13 16:19:56 +0900
  • 5146070780 Update pypolymlp example Atsushi Togo 2025-01-13 16:19:45 +0900
  • 2afef356db Minor fix of show_general_settings Atsushi Togo 2025-01-13 10:13:33 +0900
  • 9a488b2d64 deploy: e5da0c5a80 atztogo 2025-01-12 01:50:12 +0000
  • e5da0c5a80 Merge branch 'develop' into publish-gh-pages Atsushi Togo 2025-01-12 10:49:15 +0900
  • 42c12a78e8 Merge branch 'develop' v3.11.1 Atsushi Togo 2025-01-12 10:48:29 +0900
  • 312a16e862 Merge branch 'develop' into rc Atsushi Togo 2025-01-12 10:27:47 +0900
  • 17576533b0
         Merge pull request #330 from phonopy/release Atsushi Togo 2025-01-12 10:27:02 +0900
  • 672702083a Update documentation #330 Atsushi Togo 2025-01-12 10:18:50 +0900
  • 36f976a6ab Set version 3.11.1 Atsushi Togo 2025-01-12 10:16:42 +0900
  • b2309d69a3
         Merge pull request #329 from phonopy/pre-commit-ci-update-config Atsushi Togo 2025-01-07 10:43:17 +0900
  • ed441f048e
         [pre-commit.ci] pre-commit autoupdate #329 pre-commit-ci[bot] 2025-01-07 01:25:24 +0000
  • 9c7d7f2031 deploy: 26dc52cdbb atztogo 2025-01-02 05:49:40 +0000
  • 26dc52cdbb Merge branch 'develop' into publish-gh-pages Atsushi Togo 2025-01-02 14:48:43 +0900
  • 9ea51edba8 Merge branch 'develop' v3.11.0 Atsushi Togo 2025-01-02 14:47:51 +0900
  • 2158bce953 Merge branch 'develop' into rc Atsushi Togo 2025-01-02 14:46:41 +0900
  • a14ffc34f3
         Merge pull request #328 from phonopy/release Atsushi Togo 2025-01-02 14:46:00 +0900
  • 8e06402135 Set version 3.11.0 #328 Atsushi Togo 2025-01-02 14:36:56 +0900
  • 5f281b6534 Update phonopy version dependency Atsushi Togo 2025-01-01 15:14:35 +0900
  • 4ee00d50c8 importskip test_random_disps_agno2 Atsushi Togo 2025-01-01 10:59:28 +0900
  • 2ede289425 importskip test_random_disps_agno2 Atsushi Togo 2025-01-01 10:58:33 +0900
  • 193eddbd02
         Merge pull request #327 from phonopy/rd-option Atsushi Togo 2025-01-01 10:54:59 +0900
  • 1d3d085db7 New --rd auto option #327 Atsushi Togo 2025-01-01 10:43:28 +0900
  • ae4ad6fa18
         Merge pull request #326 from phonopy/remove-get_displacements_fc3 Atsushi Togo 2024-12-28 14:24:26 +0900
  • 47a2fa8ee4 Update get_displacements_and_forces_fc3 #326 Atsushi Togo 2024-12-28 13:55:28 +0900
  • 3dda1e3290
         Merge pull request #325 from phonopy/wien2k-forces Atsushi Togo 2024-12-28 13:35:06 +0900
  • c685e37f39 Include total energy in supercell scf files #325 Atsushi Togo 2024-12-28 08:17:04 +0900
  • d3c906934c Add wien2k supercell forces for the example Atsushi Togo 2024-12-28 08:00:05 +0900
  • 1f17f4ec18
         Merge pull request #324 from phonopy/SergeevGregory-wien2k-support Atsushi Togo 2024-12-28 07:34:56 +0900
  • a2de5322c1 Merge PR-323 #324 Atsushi Togo 2024-12-28 07:26:05 +0900
  • 20fadf5b27 [pre-commit.ci] auto fixes from pre-commit.com hooks #323 pre-commit-ci[bot] 2024-12-27 09:13:55 +0000
  • 8e83aa8bec
         Update README.md SGregory 2024-12-27 11:44:00 +0300
  • cdf00d31f0
         Update README.md SGregory 2024-12-27 11:42:48 +0300
  • d2cdffad6f
         Update README.md SGregory 2024-12-27 11:42:01 +0300
  • bb1e5de42d
         Add files via upload SGregory 2024-12-27 11:22:20 +0300
  • f40301b236
         Create README.md SGregory 2024-12-27 11:21:37 +0300
  • e094dfc746
         Update create_supercells.py SGregory 2024-12-26 14:53:04 +0300
  • ce6b8aa182
         Merge pull request #322 from phonopy/minor-fix Atsushi Togo 2024-12-26 18:35:04 +0900
  • ecb7e899b3 Minor fix #322 Atsushi Togo 2024-12-26 18:22:51 +0900
  • 3cecc242c6 deploy: cecefc7685 atztogo 2024-12-26 01:36:45 +0000
  • cecefc7685 Merge branch 'develop' into publish-gh-pages Atsushi Togo 2024-12-26 10:35:30 +0900
  • 22220ead6e Merge branch 'develop' v3.10.2 Atsushi Togo 2024-12-26 10:34:46 +0900
  • 1c21d1a3db Merge branch 'develop' into rc Atsushi Togo 2024-12-26 10:27:44 +0900
  • feba2ed3fb
         Merge pull request #321 from phonopy/releaes Atsushi Togo 2024-12-26 10:27:01 +0900
  • 3a7458b207 Set version 3.10.2 #321 Atsushi Togo 2024-12-26 10:17:52 +0900
  • d987e9e2ed
         Merge pull request #320 from phonopy/default-no-lapacke Atsushi Togo 2024-12-26 10:16:57 +0900
  • 1184cc00c4 Fix titles of github workflows #320 Atsushi Togo 2024-12-26 10:11:06 +0900
  • fb7f2bbe8f Update github workflows for no-lapacke as default Atsushi Togo 2024-12-26 10:02:00 +0900
  • a5298d621c Update github workflows for no-lapacke default #319 Atsushi Togo 2024-12-26 09:42:05 +0900
  • d82b7213d0 [pre-commit.ci] auto fixes from pre-commit.com hooks #318 pre-commit-ci[bot] 2024-12-25 10:31:11 +0000
  • 021efddc12
         Update create_force_sets.py SGregory 2024-12-25 13:23:18 +0300
  • 3a931deaf9
         Update dataset.py SGregory 2024-12-25 13:21:10 +0300
  • 3428f9b3fc
         Update calculator.py SGregory 2024-12-25 13:19:53 +0300
  • a651c20d52
         Add files via upload SGregory 2024-12-25 13:17:56 +0300
  • a5bdfe670b Copy colmat for diagonalization Atsushi Togo 2024-12-25 14:46:44 +0900
  • ffffe3d860 Show also colmat data information Atsushi Togo 2024-12-25 13:42:57 +0900
  • 1f817df9cb Show also info in diagonalization of colmat Atsushi Togo 2024-12-25 11:56:53 +0900
  • 93007a8a85 Show Frobenius norm for direct solution Atsushi Togo 2024-12-25 10:50:23 +0900
  • 5604d368cc
         Merge pull request #317 from phonopy/for-win Atsushi Togo 2024-12-24 17:25:36 +0900
  • 47aaab55d3 Show also trace in diagonalization of colmat #317 Atsushi Togo 2024-12-24 15:59:36 +0900
  • b12248f384 Show diagonalization information Atsushi Togo 2024-12-24 15:37:41 +0900
  • 61712ee520 Made D_diag's dtype=long Atsushi Togo 2024-12-24 13:30:05 +0900
  • a4a424fe29
         Merge pull request #316 from phonopy/pre-commit-ci-update-config Atsushi Togo 2024-12-24 11:49:07 +0900
  • cd1e1e9407
         [pre-commit.ci] pre-commit autoupdate #316 pre-commit-ci[bot] 2024-12-24 00:07:42 +0000
  • bd951bf592
         Merge pull request #315 from phonopy/cf-win-build Atsushi Togo 2024-12-23 20:57:44 +0900
  • 0b677509b9 Remove unnecessary functions from _phono3py.cpp and phono3py.h #315 Atsushi Togo 2024-12-23 16:04:55 +0900
  • 71dcf84108 Define complex for VC Atsushi Togo 2024-12-23 15:45:51 +0900
  • 7b8f7a8d84 Define complex for VC Atsushi Togo 2024-12-23 15:20:16 +0900
  • eb1ebe0cf2 Update CMakeLists.txt Atsushi Togo 2024-12-23 14:43:32 +0900
  • be5d2dd30c Set BUILD_WITHOUT_LAPACKE=ON as default Atsushi Togo 2024-12-23 14:17:06 +0900
  • d79d64a428 deploy: 24dd3a7595 atztogo 2024-12-23 04:51:26 +0000
  • 24dd3a7595 Merge branch 'develop' into publish-gh-pages Atsushi Togo 2024-12-23 13:50:15 +0900
  • 3927a34e30 Merge branch 'develop' v3.10.1 Atsushi Togo 2024-12-23 13:49:30 +0900
  • e7b796c079 Merge branch 'develop' into rc Atsushi Togo 2024-12-23 13:36:52 +0900
  • 3d2236f409
         Merge pull request #314 from phonopy/release Atsushi Togo 2024-12-23 13:17:04 +0900
  • 2718cec531 Set version 3.10.1 #314 Atsushi Togo 2024-12-23 13:07:21 +0900
  • 88418e2543
         Merge pull request #312 from phonopy/int_-to-long Atsushi Togo 2024-12-18 13:32:04 +0900
  • 4341f8c6c6 Change dtype=int_ to long #312 Atsushi Togo 2024-12-18 13:23:10 +0900
  • b96d130359
         Merge pull request #311 from phonopy/pre-commit-ci-update-config Atsushi Togo 2024-12-17 12:14:55 +0900