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26 Commits

Author SHA1 Message Date
pre-commit-ci[bot] 0b345d22cc [pre-commit.ci] auto fixes from pre-commit.com hooks 
for more information, see https://pre-commit.ci
 2024-01-29 21:19:59 +00:00
Atsushi Togo a82dcb94f1 Set version 2.16.1 2022-09-18 14:06:39 +09:00
Atsushi Togo 665601925f Loosen Gruneisen parameter test in Cu-QHA 2022-06-27 15:17:48 +09:00
Atsushi Togo 86aab3b45d Loosen heat capacity (numerical derivative) test in Cu-QHA 2022-06-27 15:14:19 +09:00
Atsushi Togo dc65f89308 Loosen bulk_modulus test for Cu-QHA and add setting to make tests run on python 3.10 2022-06-27 15:08:26 +09:00
Atsushi Togo efa781bd1c Loosen bulk_modulus in test_QHA_Cu and minor update text output 2022-06-27 15:05:02 +09:00
Atsushi Togo eed8872392 Add test of Cu-QHA for phonopy-qha --efe 2022-06-27 14:52:51 +09:00
Atsushi Togo 5434288a97 Bring pressure parameter in QHA and BulkModulus classes from phonopy-qha script 2022-06-27 12:34:46 +09:00
Atsushi Togo 3d23237f66 Implemented no-phonon bulkmodulus with --efe 2022-06-27 11:53:55 +09:00
Atsushi Togo 0e62b0c8d4 Rename test input data file of Si-QHA 2022-06-27 11:26:38 +09:00
Atsushi Togo e326323650 Loosen Cp-temperature of Si-QHA 2022-06-27 11:23:31 +09:00
Atsushi Togo eff8fc8f7f Add Si-QHA test at finite pressure 2022-06-27 11:15:02 +09:00
Atsushi Togo c95d19c77f Writing docstrings following pydocstring 2021-10-25 17:41:54 +09:00
Atsushi Togo 1543711007 Writing docstrings following pydocstring 2021-10-23 20:55:16 +09:00
Atsushi Togo cfd4c62f68 Introduce isort 2021-10-23 12:23:12 +09:00
Atsushi Togo d0cb626b0f Refactoring using formatter 2021-10-17 08:11:06 +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 ad2172d45f Numerical type change of regular grid from intc to int_ 2021-02-20 19:08:56 +09:00
Atsushi Togo 727623e0bb Move compare_cells methods to be shared 2020-11-16 14:18:36 +09:00
Atsushi Togo 321a60edf3 Fix broken code in the last commit and update tests 2019-01-16 16:07:32 +09:00
Atsushi Togo 21a99a5a47 Update test scripts and setup.py for python setup.py tset 2018-07-31 10:41:07 +09:00
Atsushi Togo 08f9bec9ff Move tests from test/phonopy/* test/ 2018-07-31 09:37:00 +09:00