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34 Commits

Author SHA1 Message Date
Atsushi Togo 78c1e1d70b Rename phonoc_utils -> funcs 2024-07-14 15:13:11 +09:00
Atsushi Togo d252e4429d Isolate recprocal space grid code 2024-07-14 12:51:13 +09:00
Atsushi Togo 1fc542fc8f Set version 3.3.0 2024-07-08 17:00:43 +09:00
Atsushi Togo 5df6b5b551 Add PHONO3PY_USE_OMP option for build 2024-07-08 11:19:55 +09:00
Atsushi Togo c742674ac7 Migrated to _phono3py.cpp and _phononcalc.cpp 2024-07-08 10:54:28 +09:00
Atsushi Togo 97bccb9ea8 Start migration from _phono3py.c to _phono3py.cpp 2024-07-07 12:43:00 +09:00
Atsushi Togo 57d863f73c Updats github workflows 2024-07-07 11:52:56 +09:00
Atsushi Togo 2b5b6f6d0b Initial attempt to migrate to nanobind 2024-07-07 10:55:19 +09:00
Atsushi Togo d2ed4b1bec Add PHPHCALC_USE_MTBLAS option to build it 2024-04-21 14:02:09 +09:00
Atsushi Togo 3d1e89c9fe Add fortran wrapper test system 2023-01-30 18:33:48 +09:00
Atsushi Togo 8816257f91 Include niggli.{c,h} from spglib and add test_niggli.cpp 2023-01-25 15:41:43 +09:00
Atsushi Togo 72d892848f Add cmake-format and cmake-lint in pre-commit 2023-01-22 12:01:04 +09:00
Atsushi Togo 02563428fa Rename c module of phononmod -> phononcalc 2023-01-21 12:45:13 +09:00
Atsushi Togo b35002e2c9 Update cmake for fortran wrapper of gridsys 2023-01-21 12:20:52 +09:00
Atsushi Togo cb57d05575 Fix CMakeLists.txt 2023-01-21 09:56:48 +09:00
Atsushi Togo b48db9189a Update cmake recipe for c modules 2023-01-20 16:37:58 +09:00
Atsushi Togo d091824acb Fix CMakeLists.txt 2022-11-14 13:10:24 +09:00
Atsushi Togo 89ef03d96e Fix CMakeLists.txt and setup.py 2022-09-02 18:35:24 +09:00
Atsushi Togo b4add7ed91 Share dynmat.c with phonopy 2022-09-01 22:06:19 +09:00
Atsushi Togo b89f321d11 Macro setting in cmake 2022-08-30 19:43:19 +09:00
Atsushi Togo 756ada6e07 Change of build system using cmake 
Following issue#99, attempting changing build system.
This commit includes the build system by combination with cmake.
 2022-08-28 07:59:41 +09:00
Atsushi Togo 01742d44cb Update CMakeLists.txt 2022-08-26 15:56:37 +09:00
Atsushi Togo 32fbe6ef0f Made cmake options to select compiled libraries 2021-04-20 18:59:26 +09:00
Atsushi Togo 743a09d942 USE_MKL option was written in CMakeLists.txt 2021-04-20 18:22:21 +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
Atsushi Togo 0a52b74620 Rename triplet_kpoint.c -> triplet_grid.c 2021-03-05 12:28:50 +09:00
Atsushi Togo 9726060832 Moved algebraic functions to lagrid.c 2021-03-05 12:07:54 +09:00
Atsushi Togo f40823fe0a Rename kpoint -> bzgrid 2021-03-05 07:53:05 +09:00
Atsushi Togo 4deb9af767 Replace rgrid by grgrid 2021-03-02 16:50:15 +09:00
Atsushi Togo 6d8d5ce310 Delete unused c files 2021-02-22 22:32:28 +09:00
Atsushi Togo 38ef33df25 size_t -> long for triplets related integer values 2021-02-22 12:46:31 +09:00
Atsushi Togo f79c31a198 Made phonon solver independent module 2021-02-22 10:24:25 +09:00
Atsushi Togo e833a39d3e Phonon solver integer type changed from int -> long 2021-02-21 21:23:38 +09:00