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gruneisen
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Writing docstrings following pydocstring
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2021-10-24 09:35:44 +09:00 |
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harmonic
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Plus-minus random directional displacements
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2022-05-30 11:40:33 +09:00 |
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interface
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add abacus-phonopy interface
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2022-07-18 16:17:09 +08:00 |
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phonon
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Plus-minus random directional displacements at T
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2022-05-30 13:10:49 +09:00 |
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qha
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Loosen Gruneisen parameter test in Cu-QHA
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2022-06-27 15:17:48 +09:00 |
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spectrum
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Fix dynamic structure factor test
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2022-05-24 14:56:51 +09:00 |
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structure
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Update add convert_to_phonopy_primitive
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2022-04-05 09:34:11 +09:00 |
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unfolding
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Writing docstrings following pydocstring
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2021-10-25 10:01:15 +09:00 |
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BORN_NaCl
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Move tests from test/phonopy/* test/
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2018-07-31 09:37:00 +09:00 |
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BORN_SnO2
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Refactoring using formatter
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2021-10-17 08:11:06 +09:00 |
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BORN_TiO2
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Update of tools around nac params symmetrization
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2020-11-16 13:11:37 +09:00 |
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FORCE_SETS_NaCl
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Refactoring using formatter
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2021-10-17 08:11:06 +09:00 |
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FORCE_SETS_SnO2
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Refactoring using formatter
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2021-10-17 08:11:06 +09:00 |
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FORCE_SETS_TiO2
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Refactoring using formatter
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2021-10-17 08:11:06 +09:00 |
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POSCAR_NaCl
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Refactoring using formatter
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2021-10-17 08:11:06 +09:00 |
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conftest.py
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Tests for magnetic moments
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2021-11-14 21:40:16 +09:00 |
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phonopy_disp_NaCl.yaml
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Add initial tests using pytest and wrote setting codecov in travis.yaml
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2020-09-10 10:03:30 +09:00 |
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phonopy_disp_SnO2.yaml
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Phonon data of SnO2 were added to test directory.
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2020-10-18 19:13:54 +09:00 |
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phonopy_disp_TiO2.yaml
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Update of tools around nac params symmetrization
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2020-11-16 13:11:37 +09:00 |
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phonopy_params_NaCl-0.995.yaml.xz
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Added test for Gruneisen
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2021-10-19 14:51:43 +09:00 |
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phonopy_params_NaCl-1.00.yaml.xz
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Added test for Gruneisen
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2021-10-19 14:51:43 +09:00 |
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phonopy_params_NaCl-1.005.yaml.xz
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Added test for Gruneisen
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2021-10-19 14:51:43 +09:00 |
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phonopy_params_Si.yaml
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Minor refactoring of group velocity and its test
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2021-11-03 10:19:33 +09:00 |
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phonopy_params_TiPN3.yaml.xz
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Add test example TiPN3
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2021-01-26 21:29:44 +09:00 |
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phonopy_params_Zr3N4.yaml
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Refactored Symmetry and Wrote its tests
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2020-12-03 10:06:59 +09:00 |
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