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add new_struc util tests #736: Commit 789b702 pushed by qzhu2017
March 2, 2024 23:55 3m 11s master
master
March 2, 2024 23:55 3m 11s
fix from_file error tests #735: Commit cab048d pushed by qzhu2017
March 2, 2024 23:11 3m 27s master
master
March 2, 2024 23:11 3m 27s
fix the issue of representation.from_string tests #734: Commit acf2c65 pushed by qzhu2017
March 2, 2024 17:13 3m 13s master
master
March 2, 2024 17:13 3m 13s
Resolve fails for some structures #246 tests #733: Commit e489ebb pushed by qzhu2017
February 27, 2024 23:21 4m 49s master
master
February 27, 2024 23:21 4m 49s
fix the bug due to wp tests #732: Commit 9fcb247 pushed by qzhu2017
February 23, 2024 18:45 4m 48s master
master
February 23, 2024 18:45 4m 48s
fix the typo of numWp tests #731: Commit 0e013bb pushed by qzhu2017
February 23, 2024 18:30 4m 30s master
master
February 23, 2024 18:30 4m 30s
fix the call in generate_wp_lib tests #730: Commit f6c4888 pushed by qzhu2017
February 23, 2024 18:25 4m 42s master
master
February 23, 2024 18:25 4m 42s
update rep to handle Zp>1 tests #729: Commit d70aeb4 pushed by qzhu2017
February 20, 2024 00:31 4m 46s v0.6.3
v0.6.3
February 20, 2024 00:31 4m 46s
update rep to handle Zp>1 tests #728: Commit d70aeb4 pushed by qzhu2017
February 12, 2024 19:55 5m 1s master
master
February 12, 2024 19:55 5m 1s
update kpt in dftb calc tests #727: Commit 1c99a4f pushed by qzhu2017
February 11, 2024 20:03 4m 54s master
master
February 11, 2024 20:03 4m 54s
update the function of get_forcefield tests #726: Commit 13fa498 pushed by qzhu2017
February 11, 2024 04:43 4m 42s master
master
February 11, 2024 04:43 4m 42s
revert the change of rdkit molecule settting tests #725: Commit 82e7d0e pushed by qzhu2017
January 25, 2024 14:49 9m 35s master
master
January 25, 2024 14:49 9m 35s
fix the bug and not pyxtal accepts the input of array for lattice in … tests #724: Commit 2d574e1 pushed by qzhu2017
January 24, 2024 20:41 9m 47s master
master
January 24, 2024 20:41 9m 47s
fix lattice tests #723: Commit 8097099 pushed by qzhu2017
January 24, 2024 19:54 9m 52s master
master
January 24, 2024 19:54 9m 52s
make pyshtools as optional tests #722: Commit 4512cb3 pushed by qzhu2017
January 22, 2024 14:49 4m 10s master
master
January 22, 2024 14:49 4m 10s
format tests #721: Commit c14fbc9 pushed by qzhu2017
January 17, 2024 15:25 4m 13s master
master
January 17, 2024 15:25 4m 13s
update and prepare for v0.6.3 tests #720: Commit 425d883 pushed by qzhu2017
January 17, 2024 15:22 32s master
master
January 17, 2024 15:22 32s
fix a tiny bug in rep tests #719: Commit f521572 pushed by qzhu2017
January 17, 2024 15:07 35s master
master
January 17, 2024 15:07 35s
Merge pull request #242 from qzhu2017/dependabot/pip/flask/jinja2-3.1.3 tests #718: Commit a7cadb4 pushed by qzhu2017
January 13, 2024 22:37 4m 26s v0.6.2
v0.6.2
January 13, 2024 22:37 4m 26s
add a function to generate forcefield from ost, experimental tests #717: Commit f851c51 pushed by qzhu2017
January 11, 2024 01:39 4m 11s master
master
January 11, 2024 01:39 4m 11s
add the support for non-CHON elements in the molecular xtal tests #716: Commit fa375bd pushed by qzhu2017
January 3, 2024 23:24 4m 27s master
master
January 3, 2024 23:24 4m 27s
resolve #240 tests #715: Commit 60e333a pushed by qzhu2017
December 27, 2023 02:42 4m 17s master
master
December 27, 2023 02:42 4m 17s
add get_wyckoff_position_from_xyz #239 tests #714: Commit 145c37c pushed by qzhu2017
December 18, 2023 04:24 4m 25s master
master
December 18, 2023 04:24 4m 25s
Merge branch 'master' of https://github.com/qzhu2017/PyXtal tests #713: Commit e6afab8 pushed by qzhu2017
December 18, 2023 03:33 4m 5s master
master
December 18, 2023 03:33 4m 5s
update test tests #712: Commit ce9bef9 pushed by qzhu2017
December 8, 2023 04:22 4m 19s master
master
December 8, 2023 04:22 4m 19s
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