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22 Commits

Author SHA1 Message Date
Atsushi Togo 71bb34aa4a Fix distance calculation in BZ 2025-06-10 18:32:13 +09:00
Janosh Riebesell ece67a3201 fix typos and add codespell pre-commit hooks to catch future typos 2025-02-04 13:41:45 -05:00
Atsushi Togo 942b1f5e01 c-long was changed to int64_t. 2025-01-26 21:29:32 +09:00
Atsushi Togo d252e4429d Isolate recprocal space grid code 2024-07-14 12:51:13 +09:00
Atsushi Togo 44a404abe4 Replace openmp_(at|per)_bands by (not openmp_per_triplets) in C 2024-04-18 12:55:38 +09:00
Atsushi Togo a7c408ce75 Improve tests of get_bz_triplets_at_q 2023-02-08 12:02:49 +09:00
Atsushi Togo 8bcd533ef6 Add fortran interface and tests to gridsys_rotate_bz_grid_index 2023-02-02 22:33:52 +09:00
Atsushi Togo c52857468b Update of fortran wrapper 2023-01-31 19:11:39 +09:00
Atsushi Togo ae218ff3f9 Write doxygen for C gridsys gridsys_get_BZ_triplets_at_q 2023-01-27 15:34:03 +09:00
Atsushi Togo 724427f255 Write C gridsys test_gridsys_get_BZ_triplets_at_q_wurtzite_force_SNF 2023-01-26 18:48:40 +09:00
Atsushi Togo 60c84bd579 Two tests for C gridsys library were added 
test_gridsys_get_ir_grid_map_rutile
test_gridsys_get_ir_grid_map_wurtzite
 2023-01-24 18:21:54 +09:00
Atsushi Togo 12e2238e8f Update doxygen strings in gridsys.h 2023-01-23 23:29:16 +09:00
Atsushi Togo bad5862efa Add test_gridsys_get_thm_relative_grid_address 2023-01-23 23:02:24 +09:00
Atsushi Togo 69122431e7 Refactoring 2021-11-02 22:08:54 +09:00
Atsushi Togo 2a474567d8 Formatted c files by VScode 2021-10-12 15:56:14 +09:00
Atsushi Togo 5e812ebfa7 Implemented eigenvector rotation in python (not used generally) 2021-04-27 18:45:33 +09:00
Atsushi Togo 19b2b596bb Rotation of grid points considering BZ-surface 2021-04-25 23:28:08 +09:00
Atsushi Togo b50344a18f Refactoring of gridsys.c 2021-04-23 06:14:24 +09:00
Atsushi Togo 41e8781f9e Refactored C routine function names 2021-04-19 17:35:56 +09:00
Atsushi Togo 77f0507639 Add gridsys_rotate_grid_index in gridsys 2021-04-12 18:37:16 +09:00
Atsushi Togo 0503db6f81 Update libgridsys 2021-04-12 17:50:35 +09:00
Atsushi Togo af42b5206a Add grid system module in c 2021-04-07 21:51:06 +09:00