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2385 Commits

Author SHA1 Message Date
Danny Rehn 2e091b14dd Add irreps for C2 and C3v point groups 2018-05-04 19:29:07 -07:00
Danny Rehn a77f9d036e
Add C2 tables to irreps 2018-04-29 11:35:50 -07:00
Atsushi Togo 78c7eab378 Merge branch 'rc' 2018-04-25 11:21:55 +09:00
Atsushi Togo 17f6f6e2ef Merge branch 'develop' into rc 2018-04-25 11:21:29 +09:00
Atsushi Togo 8fdbaa0015 nsym_list and s2pp are computed in python rather than in C 2018-04-24 12:30:53 +09:00
Atsushi Togo 2c21094ed9 Atoms class is deprecated by the same reason as in spglib. Use PhonopyAtoms. 2018-04-24 09:51:09 +09:00
Atsushi Togo c7c720652e To reuse atomic permutation map as much as possible, that for space group is put in Symmetry and that for only translation is put in Primitive. In Symmetry, it is generated on demand, but in Primitive, it is made at the initialization step. 2018-04-24 00:19:41 +09:00
Atsushi Togo f18d5ce240 compute_all_sg_permutations and related methods are moved to cells.py. show_drift for compact_fc is rewritten not distributing fc not to use memory space 2018-04-23 23:03:49 +09:00
Atsushi Togo 010439d632 Minor refactoring 2018-04-23 17:27:03 +09:00
Atsushi Togo f901ab2d9d Update docstrings 2018-04-23 15:08:37 +09:00
Atsushi Togo a5d81f6d21 Minor refactoring 2018-04-23 14:57:29 +09:00
Atsushi Togo b900649213 Merge branch 'perm-table' into develop 2018-04-23 14:11:09 +09:00
Atsushi Togo 69bfe28227 Minor refactoring 2018-04-23 14:10:50 +09:00
Atsushi Togo 509b1a8b32 Update document for v1.13.0 2018-04-21 18:49:41 +09:00
Atsushi Togo 8faed43eea Merge branch 'rc' 2018-04-21 17:35:10 +09:00
Atsushi Togo 03af60b535 Merge branch 'develop' into rc 2018-04-21 17:34:53 +09:00
Atsushi Togo 654487ec64 Test failed due to the change of default NAC method. This is fixed. 2018-04-21 17:34:39 +09:00
Atsushi Togo 25c7d39d14 Merge branch 'rc' into develop 2018-04-21 17:30:40 +09:00
Atsushi Togo 6c3e9cc7bf Set version v1.13.0 2018-04-21 17:28:50 +09:00
Atsushi Togo f870b955cf Merge branch 'rc' 2018-04-21 17:28:03 +09:00
Atsushi Togo febc9884d8 Merge branch 'develop' into rc 2018-04-21 17:27:46 +09:00
Atsushi Togo 24d2ac6c5a Default method of NAC is changed to that by Gonze et al 2018-04-21 17:27:25 +09:00
Atsushi Togo d917e621b4 Merge branch 'develop' into rc 2018-04-21 17:18:34 +09:00
Atsushi Togo 8671dce52f Merge perm-sym and transpose of compact-fc 2018-04-20 09:34:59 +09:00
Atsushi Togo 6aa6db751c Remove fc_tmp from perm-sym-compact 2018-04-20 09:11:21 +09:00
Atsushi Togo b42a8deb4d Write explanation of the way to transpose in compressed fc. 2018-04-19 00:08:56 +09:00
Atsushi Togo a3ac64bd9f Minor update of phonopy-vasp-born 2018-04-15 09:58:25 +09:00
Atsushi Togo 875fe12551 Merge branch 'rc' 2018-04-10 16:36:10 +09:00
Atsushi Togo 06f3c6f12e Merge branch 'develop' into rc 2018-04-10 16:35:52 +09:00
Atsushi Togo 5ac4e9da5f Minor update to comment when something wrong in primitive axis setting 2018-04-04 12:37:45 +09:00
Atsushi Togo e299a43764 Merge branch 'rc' into develop 2018-03-22 11:55:28 +09:00
Atsushi Togo 8b590d1f92 Set version as 1.12.8 2018-03-22 11:43:42 +09:00
Atsushi Togo 694ae5319b Merge branch 'rc' 2018-03-22 11:43:20 +09:00
Atsushi Togo 7a910f362d Merge branch 'develop' into rc 2018-03-22 11:42:53 +09:00
Atsushi Togo f6e1a8438e dmax treatment 2018-03-13 11:06:36 +09:00
Atsushi Togo 055df101f6 PDOS indices option for bandplot 2018-03-12 19:04:25 +09:00
Atsushi Togo dac515d50d PDOS indices option for bandplot 2018-03-12 18:40:34 +09:00
Atsushi Togo 5f877bc82a Merge branch 'rc' 2018-03-10 20:54:24 +09:00
Atsushi Togo b716ea7130 Merge branch 'develop' into rc 2018-03-10 20:53:54 +09:00
Atsushi Togo 6c3a7c322d Symmetrize compact fc 2018-03-10 17:58:24 +09:00
Atsushi Togo 27a113fa4e Symmetrize compact fc 2018-03-10 17:54:03 +09:00
Atsushi Togo bf405e766e Symmetrize compact fc 2018-03-10 14:31:17 +09:00
Atsushi Togo 8b5c1cff97 fc2 translational invariance scheme modified 2018-03-08 23:32:24 +09:00
Atsushi Togo d6ae848be5 An example of get_group_velocities_on_bands 2018-03-08 14:09:41 +09:00
Atsushi Togo a51704acae Merge branch 'rc' 2018-03-08 14:08:32 +09:00
Atsushi Togo a0abe5efa1 Merge branch 'develop' into rc 2018-03-08 14:08:02 +09:00
Atsushi Togo 4c8f4581b2 API method of get_group_velocities_on_bands to return group velocities on band segments 2018-03-08 14:07:43 +09:00
Atsushi Togo d726bb61dd Fix formulae in the thermal displacement document 2018-03-05 16:54:51 +09:00
Atsushi Togo cb12ee3b31 Make an option to choose either full fc or compact fc 2018-03-02 15:45:12 +09:00
Atsushi Togo 6bb3cd46e7 Make an option to choose either full fc or compact fc 2018-03-02 15:41:35 +09:00