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3628 Commits

Author SHA1 Message Date
pre-commit-ci[bot] 455ef61dfa [pre-commit.ci] auto fixes from pre-commit.com hooks 
for more information, see https://pre-commit.ci
 2022-04-04 12:55:11 +00:00
ladyteam 7dcc3c35f7 modified Unit Convertion section in formulation.md 2022-04-04 15:46:52 +03:00
Atsushi Togo 3e02b2dcd9
Merge pull request #193 from kgmat/develop 
Fix for fetching VASP version correctly.
 2022-04-02 09:40:29 +09:00
pre-commit-ci[bot] 1db7983445 [pre-commit.ci] auto fixes from pre-commit.com hooks 
for more information, see https://pre-commit.ci
 2022-04-01 11:33:19 +00:00
djmolikst 662407fe76 Fix for fetching VASP version correctly. 2022-04-01 17:00:57 +05:30
Atsushi Togo 5953d7963d
Merge pull request #191 from phonopy/fix-vasp-efe-script 
Fix phonopy-vasp-efe wrong warning
 2022-03-29 09:24:02 +09:00
Atsushi Togo 302e7d679d Fix phonopy-vasp-efe wrong warning 2022-03-29 09:17:33 +09:00
Atsushi Togo 95ef364728
Merge pull request #189 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2022-03-29 08:48:59 +09:00
pre-commit-ci[bot] c4a053a4b8
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/psf/black: 22.1.0 → 22.3.0](https://github.com/psf/black/compare/22.1.0...22.3.0)
 2022-03-28 20:28:11 +00:00
Atsushi Togo 5556a78a38
Merge pull request #187 from phonopy/remove-deprecated-lines 
Remove lines supporting old numpy versions
 2022-03-17 17:50:22 +09:00
Atsushi Togo 5851001209 Remove unecessary import 2022-03-17 17:47:02 +09:00
Atsushi Togo 88d9c4c93e Remove lines supporting old numpy versions 2022-03-17 17:40:51 +09:00
Atsushi Togo 671990838d Add a private method for compatibility 2022-03-02 17:01:48 +09:00
Atsushi Togo 16bfbf54e8
Merge pull request #186 from phonopy/cell-dict 
Move cell dict parsing to atoms.py
 2022-03-01 16:25:14 +09:00
Atsushi Togo 758bf4a693 Fix following precommit complaint 2022-03-01 16:21:49 +09:00
Atsushi Togo 532feec357 Test for parse_cell_dict 2022-03-01 16:19:30 +09:00
Atsushi Togo e8b775a396 Move cell dict parsing to atoms.py 2022-03-01 15:59:52 +09:00
Atsushi Togo ab9a083c4b
Merge pull request #180 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2022-02-25 15:41:32 +09:00
Atsushi Togo 78be066910
Merge pull request #185 from phonopy/vasprunxml 
Add kpointlist
 2022-02-14 16:29:53 +09:00
pre-commit-ci[bot] 28f662062e [pre-commit.ci] auto fixes from pre-commit.com hooks 
for more information, see https://pre-commit.ci
 2022-02-14 07:13:50 +00:00
Atsushi Togo e0a93f1571 Add kpointlist 2022-02-14 16:12:43 +09:00
Atsushi Togo d0704ee633 Merge branch 'rc' into develop 2022-02-13 13:08:07 +09:00
Atsushi Togo 449eca44f7 Merge branch 'rc' 2022-02-13 12:47:08 +09:00
Atsushi Togo 302b68ef25 Merge branch 'develop' into rc 2022-02-13 12:43:50 +09:00
Atsushi Togo ceeeff001d Set version v2.13.1 2022-02-13 12:42:32 +09:00
Atsushi Togo 2b15cd0b15
Merge pull request #184 from phonopy/fix-issue183 
Fix issue183
 2022-02-13 12:39:39 +09:00
Atsushi Togo e4afd8180a Add tests for dtype check of GridPoints attributes 2022-02-13 12:32:58 +09:00
Atsushi Togo 9ecf289924 Cast grid_mapping_table from uintp to int_ 2022-02-13 11:06:45 +09:00
Atsushi Togo 3a19702c6c Merge branch 'rc' into develop 2022-02-12 19:40:15 +09:00
Atsushi Togo 843dc12ead Merge branch 'rc' 2022-02-12 19:33:48 +09:00
Atsushi Togo 89ad44ff9e Merge branch 'develop' into rc 2022-02-12 19:31:20 +09:00
Atsushi Togo 6d3848152e Set version v2.13.0 2022-02-12 19:29:48 +09:00
Atsushi Togo d5f6e2c7dc Update dependent software versions 2022-02-12 14:54:47 +09:00
Atsushi Togo 5541b979a5
Merge pull request #182 from phonopy/is_primitive_cell 
Add is_primitive_cell function.
 2022-02-12 12:35:18 +09:00
Atsushi Togo 2b8830347b Add is_primitive_cell function. 2022-02-12 12:24:39 +09:00
pre-commit-ci[bot] c7f4bb3e7f [pre-commit.ci] auto fixes from pre-commit.com hooks 
for more information, see https://pre-commit.ci
 2022-01-31 23:12:33 +00:00
pre-commit-ci[bot] bd77ff5711
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/psf/black: 21.12b0 → 22.1.0](https://github.com/psf/black/compare/21.12b0...22.1.0)
 2022-01-31 23:11:45 +00:00
Atsushi Togo 94371c38cf
Merge pull request #179 from phonopy/phonopy-yaml 
Minor update of PhonopyYaml
 2022-01-11 12:43:40 +09:00
Atsushi Togo 390589a91b Minor update of PhonopyYaml 2022-01-11 12:40:41 +09:00
Atsushi Togo 816586d0ba
Merge pull request #177 from phonopy/document-md 
Document md
 2022-01-07 19:12:23 +09:00
Atsushi Togo 342784dece Migrated some rst files to md 2022-01-07 19:08:14 +09:00
Atsushi Togo 50e9fbb004 Migrated some rst files to md 2022-01-07 18:53:56 +09:00
Atsushi Togo f4b33fb765 Migrated some rst files to md 2022-01-07 17:41:14 +09:00
Atsushi Togo 210509ab99
Merge pull request #175 from phonopy/fix-deprecated 
Fix DeprecationWarning
 2022-01-01 19:22:51 +09:00
Atsushi Togo 03179e3491 Fix DeprecationWarning 2022-01-01 19:22:09 +09:00
Atsushi Togo 5efef5bbfe
Merge pull request #174 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2021-12-28 10:07:14 +09:00
pre-commit-ci[bot] 1c1a57b04d
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/pre-commit/pre-commit-hooks: v4.0.1 → v4.1.0](https://github.com/pre-commit/pre-commit-hooks/compare/v4.0.1...v4.1.0)
 2021-12-27 22:04:05 +00:00
Atsushi Togo 9fa7551ab0
Merge pull request #172 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2021-12-07 08:03:12 +09:00
pre-commit-ci[bot] 6c3074e4df
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/psf/black: 21.11b1 → 21.12b0](https://github.com/psf/black/compare/21.11b1...21.12b0)
 2021-12-06 22:03:10 +00:00
Atsushi Togo 7c4981c5c2
Merge pull request #171 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2021-11-23 08:14:51 +09:00