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257 Commits

Author SHA1 Message Date
Atsushi Togo 7864c746d9 Picked updated files from rc 2021-02-22 07:54:55 +09:00
Atsushi Togo e833a39d3e Phonon solver integer type changed from int -> long 2021-02-21 21:23:38 +09:00
Atsushi Togo b36fc7f17b Update test_isotope.py 2021-02-09 18:40:02 +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 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 092dd3e396 Update tests 2021-01-24 09:00:34 +09:00
Atsushi Togo ceb4e3b280 Added test using NaCl 2x2x2 PBE 2020-09-25 19:22:19 +09:00
Atsushi Togo 5325c55106 Add test data of NaCl 2x2x2 supercell (PBE) 2020-09-25 16:50:38 +09:00
Atsushi Togo 56211b6aef Update test for displacement correlation matrix to compare that in RandomDisplacements of phonopy 2020-09-25 11:43:24 +09:00
Atsushi Togo f0deb82cef Output matrices of DispCorrMatrixMesh were changed to be the same as those of DispCorrMatrix, and test in travis for python2.7 was dropped. 2020-09-24 20:25:13 +09:00
Atsushi Togo c25e4c92dd DispCorrMatrix and InvDispCorrMatrix were combined. 2020-09-24 20:12:01 +09:00
Atsushi Togo 5a22eb3725 Spectral function is divided by pi 2020-09-09 10:52:39 +09:00
Atsushi Togo d92aab6d83 Made spectral function to run gp by gp 2020-09-07 21:54:00 +09:00
Atsushi Togo 3fa025346f Fix spectral function test 2020-09-07 19:18:27 +09:00
Atsushi Togo 967ecc2af5 Array shape of gammas returned by get_imag_self_energy was changed. 2020-09-06 16:03:25 +09:00
Atsushi Togo 43fac60ae5 Name of frequency shift is changed to real self energy 2020-09-06 14:59:14 +09:00
Atsushi Togo 41ce7fe379 Spectral function implementation updated 2020-09-06 13:21:16 +09:00
Atsushi Togo f9ffcc90fa Spectral function implementation updated 2020-09-06 12:03:57 +09:00
Atsushi Togo 75f3595cb5 Spectral function implementation statred. 2020-09-05 22:24:45 +09:00
Atsushi Togo bcc1b8ced6 RealToImag class: Kramers-Kronig relations to get frequency shift 2020-09-05 15:58:01 +09:00
Atsushi Togo 7f248a9e3f Wrote frquency shift at arbitrary frequency 2020-09-04 16:22:37 +09:00
Atsushi Togo 2dd51a8df2 Update get_frequency_points in imag_self_energy.py 2020-09-04 12:29:34 +09:00
Atsushi Togo d7ca5dd62c Wrote jdos test 2020-09-04 12:08:37 +09:00
Atsushi Togo 3f523f6e62 Add test for gamma scattering classes 2020-09-03 22:04:56 +09:00
Atsushi Togo 6891ddc0de Add test for detailed_gamma 2020-09-03 21:59:35 +09:00
Atsushi Togo 789597daa6 Update test_imag_self_energy.py 2020-09-03 19:42:36 +09:00
Atsushi Togo 44641e8cfd Update test_imag_self_energy.py 2020-09-03 19:33:43 +09:00
Atsushi Togo beb0af8e38 Update test_imag_self_energy.py 2020-09-03 19:09:13 +09:00
Atsushi Togo ad897aca34 Updated imag self energy interface 2020-09-03 17:59:57 +09:00
Atsushi Togo 1a5b21984b Updated sscha code 2020-08-28 09:59:48 +09:00
Atsushi Togo 779824117f Fix sscha test 2020-08-27 09:46:50 +09:00
Atsushi Togo e7a3600500 Updated sscha code 2020-08-26 18:03:34 +09:00
Atsushi Togo c86407fa46 Updated sscha code 2020-08-26 15:21:45 +09:00
Atsushi Togo 14b733a370 Use gz instead of lzma because test in python2.7 fails 2020-08-26 15:04:19 +09:00
Atsushi Togo 3801539196 SSCHA code was updated. 2020-08-26 12:55:17 +09:00
Atsushi Togo d37fe70e6b Fix test 2020-08-25 16:24:18 +09:00
Atsushi Togo 0dc352e83f LambdaTensor was removed. 2020-08-25 16:15:57 +09:00
Atsushi Togo 8d1bec34d8 Update sscha 2020-08-25 10:04:20 +09:00
Atsushi Togo 8514c42a63 Add test for SupercellPhonon 2020-08-25 07:24:35 +09:00
Atsushi Togo 35e210eca9 Add two test sets 2020-08-24 22:09:03 +09:00
Atsushi Togo da5df03087 Updated sscha code 2020-08-24 19:15:31 +09:00
Atsushi Togo 20fd640ecb First implementation of gamma matrix 2020-08-23 19:34:55 +09:00
Atsushi Togo 1d2e2e8748 Add frequency shift test 2020-08-23 14:12:03 +09:00
Atsushi Togo 38ea5e0a80 Add Isotope test 2020-08-23 12:28:59 +09:00
Atsushi Togo 5cc2afb6f7 Loosen testing value tolerance for LBTE 2020-08-23 10:59:47 +09:00
Atsushi Togo 5d6609dfd5 Wrote thermal conductivity tests 2020-08-23 10:42:49 +09:00
Atsushi Togo 3904e13306 Add RTA kappa test 2020-08-22 20:54:11 +09:00
Atsushi Togo a600ce1a8b Added new files 2019-08-13 13:12:08 +09:00
Atsushi Togo ae1f64e4dd Updates adapting to phonopy v1.14.2 2018-11-22 15:11:24 +09:00
Atsushi Togo 7bd9deeb43 Update tests 2018-08-23 09:30:15 +09:00
Atsushi Togo 18fa1b1f4d Module name change from anharmonic to phono3py 2016-10-31 10:44:41 +09:00
Atsushi Togo 0d4be1e272 Update for .travis.yml 2016-10-30 16:07:27 +09:00