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1172 Commits

Author SHA1 Message Date
Atsushi Togo 86cec59a16 Add AlN test 2021-02-22 16:02:01 +09:00
Atsushi Togo 0eef874257 Minor fix of integer type handling 2021-02-22 14:35:02 +09:00
Atsushi Togo 38ef33df25 size_t -> long for triplets related integer values 2021-02-22 12:46:31 +09:00
Atsushi Togo 545af58938 Merge branch 'phonon' into develop 2021-02-22 10:26:20 +09:00
Atsushi Togo f79c31a198 Made phonon solver independent module 2021-02-22 10:24:25 +09:00
Atsushi Togo 7864c746d9 Picked updated files from rc 2021-02-22 07:54:55 +09:00
Atsushi Togo 5664c3fc4b Minor refactoring of lapacke wrapper 2021-02-22 00:02:18 +09:00
Atsushi Togo 90c484c824 Removing c/phonoc_array.c 2021-02-21 23:40:07 +09:00
Atsushi Togo e5a70845d1 Merge branch 'grid-backend' into develop 2021-02-21 23:25:04 +09:00
Atsushi Togo dad0eec024
Merge pull request #41 from jan-janssen/develop 
Fix missing source files on pypi
 2021-02-21 23:24:17 +09:00
Jan Janssen 3c05a31e40
Update MANIFEST.in 2021-02-21 15:11:26 +01:00
Jan Janssen e0698574e9
Update setup.py 2021-02-21 15:11:05 +01:00
Jan Janssen 03e2f6c220
Include all sources 2021-02-21 14:52:15 +01:00
Atsushi Togo 2d1c18c91e Deleted unused methods in triplets.py 2021-02-21 21:54:31 +09:00
Atsushi Togo e833a39d3e Phonon solver integer type changed from int -> long 2021-02-21 21:23:38 +09:00
Atsushi Togo d8c64055ab Merge branch 'rc' into develop 2021-02-21 18:49:39 +09:00
Atsushi Togo d2c5e54706 Update document for v1.22.1 2021-02-21 18:47:31 +09:00
Atsushi Togo 2e0abb880b Fix behaviour when setting --thm and --sigma simultaneously 2021-02-21 18:44:10 +09:00
Atsushi Togo 5f0071a46e Update .travis.yml and github action scripts 2021-02-21 18:08:42 +09:00
Atsushi Togo f5b8ad25e3 Merge branch 'develop' into rc 2021-02-21 15:59:20 +09:00
Atsushi Togo e4b80ae4ee Set version 1.22.1 2021-02-21 15:58:45 +09:00
Atsushi Togo b161a9e05e Fix initialization of sigmas 2021-02-21 15:57:26 +09:00
Atsushi Togo b36fc7f17b Update test_isotope.py 2021-02-09 18:40:02 +09:00
Atsushi Togo 773a5572a6 Merge branch 'phono3py_c_wrapper' into develop 2021-02-09 17:23:57 +09:00
Atsushi Togo c082b6347b Disable codecov in travis-CI 2021-01-30 22:10:52 +09:00
Atsushi Togo b4e0802ff3
Update phono3py-pytest-conda.yml 2021-01-30 22:04:27 +09:00
Atsushi Togo d6021a1f26
Update phono3py-pytest-conda.yml 2021-01-30 22:00:32 +09:00
Atsushi Togo 75e931069b
Update phono3py-pytest-conda.yml 2021-01-30 21:50:48 +09:00
Atsushi Togo 2e1b1356fd
Update phono3py-pytest-conda.yml 2021-01-30 21:43:34 +09:00
Atsushi Togo 1387218f9e
Create phono3py-pytest-conda.yml 2021-01-30 21:41:51 +09:00
Atsushi Togo f8ac025d69 Merge branch 'rc' into develop 2021-01-29 16:52:11 +09:00
Atsushi Togo 6b2bfd5154 Merge branch 'rc' 2021-01-29 16:50:18 +09:00
Atsushi Togo eac98b4562 Merge branch 'develop' into rc 2021-01-29 11:20:19 +09:00
Atsushi Togo 87ef738b8d Set version v1.22.0 and update document for it 2021-01-29 11:19:41 +09:00
Atsushi Togo c81af37d7f Merge branch 'phono3py_c_wrapper' into develop 2021-01-28 12:14:24 +09:00
Atsushi Togo 042e681458 Writing wrappers in phono3py.c and add tests 2021-01-28 12:14:00 +09:00
Atsushi Togo 207a353f8a Increse mergin of test_real_self_energy.py 2021-01-28 07:41:00 +09:00
Atsushi Togo 2612f97b5a Writing wrappers in phono3py.c and add tests 2021-01-27 22:49:22 +09:00
Atsushi Togo e534930063 Add test with sigma=0.1 for RTA kappa 2021-01-27 16:05:08 +09:00
Atsushi Togo 3bab5cba51 Writing wrappers in phono3py.c 2021-01-27 14:35:55 +09:00
Atsushi Togo 3b59e7a310 Writing wrappers in phono3py.c 2021-01-27 11:50:02 +09:00
Atsushi Togo 0a046e13f1 Add empty phono3py.c phono3py.h 2021-01-27 10:01:55 +09:00
Atsushi Togo 69e1b3cdf5 Merge branch 'reorder-c-files' into develop 2021-01-26 11:10:34 +09:00
Atsushi Togo 9d0f335e38 Move c files on a flat directory 2021-01-26 11:10:19 +09:00
Atsushi Togo 6e38395615 Add ZnTe example 2021-01-24 22:14:19 +09:00
Atsushi Togo 855d9a34cd Update tests of joint-dos at 300K 2021-01-24 12:43:10 +09:00
Atsushi Togo 9902a1b3eb Update tests of joint-dos 2021-01-24 11:52:10 +09:00
Atsushi Togo 40bbf28374 Remove arguments considered unnecessary 2021-01-24 11:51:55 +09:00
Atsushi Togo b2556bed07 Unset phonons at Gamma at initialization. 2021-01-24 10:00:04 +09:00
Atsushi Togo e5b1b216f8 Fix parsing nac_params from phono3py.yaml 2021-01-24 09:59:00 +09:00