scnc
/
phonopy
mirror of https://github.com/phonopy/phonopy.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
3,628 Commits 5 Branches 85 Tags 71 MiB
Commit Graph

267 Commits

Author SHA1 Message Date
Atsushi Togo 758bf4a693 Fix following precommit complaint 2022-03-01 16:21:49 +09:00
Atsushi Togo 532feec357 Test for parse_cell_dict 2022-03-01 16:19:30 +09:00
Atsushi Togo ab9a083c4b
Merge pull request #180 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2022-02-25 15:41:32 +09:00
Atsushi Togo e4afd8180a Add tests for dtype check of GridPoints attributes 2022-02-13 12:32:58 +09:00
pre-commit-ci[bot] c7f4bb3e7f [pre-commit.ci] auto fixes from pre-commit.com hooks 
for more information, see https://pre-commit.ci
 2022-01-31 23:12:33 +00:00
Atsushi Togo ece642aa68 Added more tests for displacements 2021-11-14 22:05:41 +09:00
Atsushi Togo aa1348e9c5 Tests for displacements 2021-11-14 21:40:36 +09:00
Atsushi Togo b04cb651eb Tests for magnetic moments 2021-11-14 21:40:16 +09:00
Atsushi Togo 33c89093de Minor refactoring of group velocity and its test 2021-11-03 10:19:33 +09:00
Atsushi Togo c95d19c77f Writing docstrings following pydocstring 2021-10-25 17:41:54 +09:00
Atsushi Togo 443c0ac669 Writing docstrings following pydocstring 2021-10-25 16:44:25 +09:00
Atsushi Togo dbf79fa71b Avoid degenerated band in modulation test 2021-10-25 14:24:46 +09:00
Atsushi Togo 5bc2d0513e Writing docstrings following pydocstring 2021-10-25 14:18:37 +09:00
Atsushi Togo 39765d0ae4 Add more tests 2021-10-25 14:18:20 +09:00
Atsushi Togo fe68d75f1a Writing docstrings following pydocstring 2021-10-25 10:01:15 +09:00
Atsushi Togo eb344cb67c Add test for Modulation 2021-10-25 10:01:08 +09:00
Atsushi Togo c5b7e3abf8 Writing docstrings following pydocstring 2021-10-24 09:35:44 +09:00
Atsushi Togo 1543711007 Writing docstrings following pydocstring 2021-10-23 20:55:16 +09:00
Atsushi Togo c09c4a7370 Writing docstrings following pydocstring 2021-10-23 18:23:14 +09:00
Atsushi Togo cfd4c62f68 Introduce isort 2021-10-23 12:23:12 +09:00
Atsushi Togo 4d748f908c Writing docstrings following pydocstring 2021-10-21 12:49:42 +09:00
Atsushi Togo 3e3c5aa9ab Writing docstrings following pydocstring 2021-10-20 21:49:26 +09:00
Atsushi Togo 4d64126fb7 Writing docstrings following pydocstring 2021-10-20 10:52:54 +09:00
Atsushi Togo 96605e922c Writing docstrings following pydocstring 2021-10-20 09:45:58 +09:00
Atsushi Togo 4f8af7cba1 Update test/gruneisen/test_gruneisen.py 2021-10-19 21:49:26 +09:00
Atsushi Togo 9a675bd81e Update test/gruneisen/test_gruneisen.py 2021-10-19 21:35:17 +09:00
Atsushi Togo d4ac87ec16 Update test/gruneisen/test_gruneisen.py 2021-10-19 21:19:16 +09:00
Atsushi Togo e37471cfa0 Added test for Gruneisen 2021-10-19 14:51:43 +09:00
Atsushi Togo bd4e946626 Writing docstrings following pydocstring 2021-10-18 18:48:25 +09:00
Atsushi Togo b3caa3d855 Writing docstrings following pydocstring 2021-10-17 12:15:33 +09:00
Atsushi Togo 1575df0b27 Writing docstrings following pydocstring 2021-10-17 11:12:01 +09:00
Atsushi Togo d0cb626b0f Refactoring using formatter 2021-10-17 08:11:06 +09:00
Atsushi Togo eb08ca39e9 Refactoring of group velocity interface. 2021-07-26 13:13:05 +09:00
Atsushi Togo 3a1ad81a62 Update python version of dynmat-to-fc for dense svecs array. 2021-07-06 16:28:13 +09:00
Atsushi Togo 0dbf497079 Add /test_derivative_dynmat.py 2021-07-06 11:46:34 +09:00
Atsushi Togo 94097ae588 Dynamical matrix C backend was changed to work with dense sevecs array 2021-07-05 23:11:30 +09:00
Atsushi Togo 322f6e4fee Made interface store_dense_svecs in API and loader 2021-07-05 19:35:49 +09:00
Atsushi Togo 41386c9577 Made cutoff_force_constants accept store_in_dense_array 2021-07-05 14:37:53 +09:00
Atsushi Togo 23282307e8 Add an argument of store_dense_vectors to get_primitive 2021-07-05 13:35:35 +09:00
Atsushi Togo e884e918e9 Update tests to remove DeprecationWarning 2021-06-08 19:06:35 +09:00
Atsushi Togo ccd60ed114 Loosen tolerance of a QHA test 2021-05-22 14:25:37 +09:00
Atsushi Togo 51e1287ef3 Loosen tolerance of a QHA test 2021-05-22 14:16:23 +09:00
Atsushi Togo 3dc1088d52 Wrote a QHA test 2021-05-22 14:10:10 +09:00
Atsushi Togo 24a8de26a4 Fix QHA test 2021-05-21 22:24:16 +09:00
Atsushi Togo 92c2c79d12 Writing tests for QHA 2021-05-21 22:17:24 +09:00
Atsushi Togo 5b7efde972 Wrote API and updated test for GroupVelocityMatrix 2021-05-03 22:16:26 +09:00
Atsushi Togo ce368c9533 Update wrote tests for GroupVelocity and GroupVelocityMatrix 2021-05-03 21:47:57 +09:00
Atsushi Togo 443209e53c Bug fix of J32 2021-04-08 07:57:40 +09:00
Atsushi Togo 1d7dc53d38 Revert some int_ to intc 2021-03-28 20:57:34 +09:00
Atsushi Togo 6b999bd1c2 Fix GRGrid test because of the change of 5f31ab41 2021-03-25 20:43:42 +09:00