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94 Commits

Author SHA1 Message Date
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 9045b0d200 Making interface for choosing the way to divide microzone by tetrahedra with 4 diagonals 2014-03-14 22:31:34 +01:00
Atsushi Togo d4aa573dad Spglib update 2014-02-14 11:08:10 +09:00
Atsushi Togo 0cf15ee533 Avoid divided by zero 2014-02-04 00:52:03 +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 65e9d31c97 Tetrahedron method update 2014-01-15 18:33:28 +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 1232913f52 Tetrahedron method in C 2014-01-08 14:45:42 +09:00
Atsushi Togo 8a92314fdd Tetrahedron method in C is imported from spglib. 2014-01-07 18:34:03 +09:00
Atsushi Togo e65056c955 Update tetrahedron method in C 2014-01-06 23:43:05 +09:00
Atsushi Togo c9bb4c2058 Tetrahedron method in C/spglib 2014-01-06 18:14:38 +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 7545330aa9 Remove #include <omp.h> 2013-12-08 09:35:44 +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 79586369b6 Update spglib to v1.5.1 2013-09-10 14:01:49 +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
Atsushi Togo 7bde53247c Improve performance of q-constraint triplet search in spglib 2013-03-27 15:01:05 +09:00
Atsushi Togo 3c3051fa29 Triplet search update 2013-03-03 17:43:40 +09:00
Atsushi Togo a441a20eb7 Header files were moved. 2013-02-07 14:58:55 +09:00
Atsushi Togo 51de88929e Update spglib to version 1.4 2012-12-14 17:58:10 +09:00
Atsushi Togo 7f5a732efb Commit version 1.6.3 2012-12-11 17:15:20 +09:00