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api
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Run pypolymlp test
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2024-12-30 16:37:54 +09:00 |
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cui
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importskip of test_phonopy_load for symfc
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2024-12-15 14:38:00 +09:00 |
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gruneisen
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[pre-commit.ci] auto fixes from pre-commit.com hooks
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2024-01-29 21:19:59 +00:00 |
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harmonic
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Twice more supercells by --rd auto
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2025-02-07 18:22:57 +09:00 |
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interface
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Add test symfc interface with cutoff option
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2025-01-18 22:01:17 +09:00 |
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phonon
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Change long to int64_t
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2025-01-27 09:38:18 +09:00 |
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qha
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Change long to int64_t
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2025-01-27 09:38:18 +09:00 |
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spectrum
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Selected Black in ruff setting.
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2024-06-21 12:55:50 +09:00 |
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sscha
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Refactor SSCHA feature
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2024-11-30 16:16:31 +09:00 |
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structure
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Change long to int64_t
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2025-01-27 09:38:18 +09:00 |
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unfolding
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[pre-commit.ci] auto fixes from pre-commit.com hooks
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2024-01-29 21:19:59 +00:00 |
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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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Add function dense_to_sparse_svecs
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2024-12-27 17:46:17 +09:00 |
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mlpsscha_KCl-120.pmlp
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Add MLPSSCHA class
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2024-11-21 16:59:54 +09:00 |
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phonopy_KCl.yaml
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Refactor SSCHA feature
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2024-11-30 16:16:31 +09:00 |
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phonopy_NaCl_unitcell1.yaml
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isclose with arbitrary order option
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2022-12-28 14:48:21 +09:00 |
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phonopy_NaCl_unitcell2.yaml
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isclose with arbitrary order option
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2022-12-28 14:48:21 +09:00 |
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phonopy_SrTiO3.yaml.xz
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Add SrTiO3 test data
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2022-10-30 12:48:55 +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_NaCl-fd.yaml.xz
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Test supercell_energies attributes of API
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2024-04-30 08:24:51 +09:00 |
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phonopy_params_NaCl-rd.yaml.xz
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Test supercell_energies attributes of API
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2024-04-30 08:24:51 +09:00 |
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phonopy_params_Si.yaml
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Test supercell_energies attributes of API
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2024-04-30 08:24:51 +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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test_exception.py
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Minor fix of dataset treatment
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2024-04-30 10:25:34 +09:00 |
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test_file_IO.py
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Fix storing strings in hdf5 (issue #431)
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2024-09-21 17:51:24 +09:00 |
ce536d1df5