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54 Commits

Author SHA1 Message Date
Atsushi Togo 2c903fe1c5 Spglib update to version 1.9.2 2016-04-22 10:41:52 +09:00
Atsushi Togo 8c2cf54f3c Minor update of spglib 2015-08-05 17:40:04 +09:00
Atsushi Togo 894ba52ffc Minor update of spglib 2015-08-05 16:54:42 +09:00
Atsushi Togo 1d67bf3a97 Update spglib to version 1.8.2 2015-08-02 11:57:26 +09:00
Atsushi Togo d9727125ff Update spglib to 1.8 2015-06-25 22:04:21 +09:00
Atsushi Togo f0e0ca4f2f Minor update of spglib 2015-06-17 17:44:35 +09:00
Atsushi Togo ac5a5b5f7e Finish moving triplet code in phono3py from spglib 2015-06-17 16:59:02 +09:00
Atsushi Togo 57e9eb63d7 Update to spglib 1.8 2015-06-17 15:06:47 +09:00
Atsushi Togo b8ddc5ce12 Update spglib 2015-04-06 16:00:09 +09:00
Atsushi Togo 5cedccecc4 Update spglib to 1.7.3-pre3 2015-04-05 23:23:50 +09:00
Atsushi Togo c265a6f844 Refactoring: variable names 2014-11-29 15:05:51 +09:00
Atsushi Togo d023d0a094 Fix triplets search 2014-11-29 14:55:01 +09:00
Atsushi Togo e7fa962c0b Pull out get_grid_point to spglib API 2014-07-07 18:22:19 +09:00
Atsushi Togo 081c0f6314 Creating interface to translate grid address to grid point index and making difference between single and double meshes clearer 2014-07-07 01:11:08 +09:00
Atsushi Togo 154e3fe9f7 Expansion of ir-collision matrix to full matrix to solve scalar type collision matrix 2014-05-19 12:05:14 +09:00
Atsushi Togo 612f10faee Minor fix 2014-05-16 12:19:43 +09:00
Atsushi Togo 69a886e9d8 Boundary collection of collision matrix 2014-05-15 22:24:58 +09:00
Atsushi Togo a6045d5f14 Considering BZ boundary for triplets 2014-05-10 14:04:24 +09:00
Atsushi Togo a13800afc2 Considering BZ boundary for triplets 2014-05-08 22:20:17 +09:00
Atsushi Togo 4b3eafe6af Considering BZ boundary for triplets 2014-05-08 18:06:16 +09:00
Atsushi Togo 0677e62113 Under the implementation of collision matrix and LBTE conductivity 2014-04-28 16:22:55 +09:00
Atsushi Togo 035d662fa7 Under the implementation of collision matrix and LBTE conductivity 2014-04-27 21:53:17 +09:00
Atsushi Togo f503928cac Under the implementation of collision matrix and LBTE conductivity 2014-04-22 12:40:27 +09:00
Atsushi Togo 4a183db2a2 Change output format of ir-triplets 2014-04-09 17:23:52 +09:00
Atsushi Togo e9ed3fea65 Update for tetrahedron method implementing in C 2014-01-21 18:20:40 +09:00
Atsushi Togo b3be2f54d9 Update tetrahedron method implementing in C 2014-01-21 00:54:07 +09:00
Atsushi Togo 06e45f82fb Update for tetrahedron method implementing in C 2014-01-20 18:12:28 +09:00
Atsushi Togo e7fa7a313c spglib update for tetrahedron method 2014-01-20 01:00:04 +09:00
Atsushi Togo 3e3a7522c6 Extended mesh used for describing BZ is expanded to (mesh * 2) from (mesh * 2 - 1). 2014-01-14 00:26:29 +09:00
Atsushi Togo 7e2c610f9e Adjust indent 2014-01-06 18:14:22 +09:00
Atsushi Togo d26486cdb6 Comment update 2013-12-25 13:58:45 +09:00
Atsushi Togo 1e08b8edc0 Tolerance adjustment 2013-12-24 17:23:08 +09:00
Atsushi Togo 0ab0fcd77c Minor fix 2013-12-21 16:36:37 +09:00
Atsushi Togo b260d0e6b8 BZ grid address order is modified. grid_address is not overwritten. 2013-10-09 13:15:45 +09:00
Atsushi Togo c32ff4f727 Triplets finder in spglib update 2013-10-08 15:31:37 +09:00
Atsushi Togo b5247d3ccf Modify BZ mesh sampling way 2013-10-08 00:25:21 +09:00
Atsushi Togo 1b7e3aa0e8 A boundary treatment for no-kappa-stars option in thermal conductivity 2013-09-27 16:15:33 +09:00
Atsushi Togo bbded2e982 Mesh sampling in reciprocal primitive lattice is transformed to that in BZ 2013-09-26 18:57:35 +09:00
Atsushi Togo ea67f0bb74 Thinking about good sampling method of BZ... 2013-09-24 18:01:38 +09:00
Atsushi Togo 2aacaef782 Relocate q-points in BZ 2013-09-23 22:45:15 +09:00
Atsushi Togo 18074bdefa Implementation of relocate_BZ_grid_address 2013-09-22 23:03:35 +09:00
Atsushi Togo 424129087a Implementing relocation of grid address inside BZ 2013-09-22 16:42:01 +09:00
Atsushi Togo deebc21507 Boundary treatment of triplets when mesh number is even 2013-09-06 14:08:52 +09:00
Atsushi Togo 0ebe23a1ec Boundary treatment of triplets when mesh number is even 2013-09-05 18:30:32 +09:00
Atsushi Togo 74a2beafbd Fix triplet search bug 2013-04-27 17:10:50 +09:00
Atsushi Togo 5b9699a8f9 Improve the speed of ir-q-points search 2013-04-25 15:04:21 +09:00
Atsushi Togo 0af157404b Resolve some bottle necks for finding triplets 2013-04-24 23:57:27 +09:00
Atsushi Togo bf91d53f1d OpenMP implementation for triplet search in spglib 2013-04-24 18:32:19 +09:00
Atsushi Togo 08b374b05a Update spglib to version 1.4.1 2013-04-16 17:28:22 +09:00
Atsushi Togo eedc4c2646 Update spglib 2013-04-15 16:58:00 +09:00