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Merge remote-tracking branch 'origin/development' into development Test & upload to PyPI #187: Commit 5a8b481 pushed by abelcarreras
July 12, 2024 11:03 1m 11s master
master
July 12, 2024 11:03 1m 11s
Merge remote-tracking branch 'origin/development' into development Test & upload to PyPI #186: Commit 5a8b481 pushed by abelcarreras
July 12, 2024 11:02 39s development
development
July 12, 2024 11:02 39s
fixes #5 Test & upload to PyPI #185: Commit 0cc62eb pushed by abelcarreras
June 7, 2024 10:13 46s development
development
June 7, 2024 10:13 46s
fix QchemInput to work with CIS(D) Test & upload to PyPI #184: Commit ceec1a5 pushed by abelcarreras
April 9, 2024 08:40 50s development
development
April 9, 2024 08:40 50s
fix typo in README.md Test & upload to PyPI #183: Commit 230898a pushed by abelcarreras
March 6, 2024 16:26 51s development
development
March 6, 2024 16:26 51s
bump version Test & upload to PyPI #182: Commit f0d6364 pushed by abelcarreras
February 22, 2024 11:55 1m 25s master
master
February 22, 2024 11:55 1m 25s
bump version Test & upload to PyPI #181: Commit f0d6364 pushed by abelcarreras
February 22, 2024 11:55 44s development
development
February 22, 2024 11:55 44s
add magnetic hyperfine structure to rasci parser Test & upload to PyPI #180: Commit 044d50b pushed by abelcarreras
February 22, 2024 11:52 40s development
development
February 22, 2024 11:52 40s
set no_horto to 1 when max_scf_cycles to avoid issues in ROH Test & upload to PyPI #179: Commit 30017e4 pushed by abelcarreras
February 19, 2024 10:41 43s development
development
February 19, 2024 10:41 43s
add docstring to truncate_basis Test & upload to PyPI #178: Commit ce7134f pushed by abelcarreras
February 14, 2024 14:12 43s development
development
February 14, 2024 14:12 43s
add __add__() method to Structure class Test & upload to PyPI #177: Commit f2ced84 pushed by abelcarreras
February 14, 2024 12:10 42s development
development
February 14, 2024 12:10 42s
edit docstrings gtensor.py Test & upload to PyPI #176: Commit 6bcba81 pushed by abelcarreras
November 29, 2023 11:42 39s development
development
November 29, 2023 11:42 39s
reorganization of g-tensor tool Test & upload to PyPI #175: Commit 7f02812 pushed by abelcarreras
November 5, 2023 02:12 53s development
development
November 5, 2023 02:12 53s
generalization of g-tensor program Test & upload to PyPI #174: Commit 1b6d691 pushed by acebreiro
October 26, 2023 09:39 54s development
development
October 26, 2023 09:39 54s
generalization of g-tensor program Test & upload to PyPI #173: Commit bcd5da9 pushed by acebreiro
October 26, 2023 09:39 59s development
development
October 26, 2023 09:39 59s
generalization of g-tensor program Test & upload to PyPI #172: Commit c6dac94 pushed by acebreiro
October 26, 2023 09:34 52s development
development
October 26, 2023 09:34 52s
generalization of g-tensor program Test & upload to PyPI #171: Commit 6a5a8f0 pushed by acebreiro
October 26, 2023 09:33 55s development
development
October 26, 2023 09:33 55s
remove innecesary printing Test & upload to PyPI #170: Commit 5e49080 pushed by abelcarreras
August 27, 2023 21:48 53s development
development
August 27, 2023 21:48 53s
improve example of CIS diabatization Test & upload to PyPI #169: Commit 381c9bd pushed by abelcarreras
August 17, 2023 09:02 52s development
development
August 17, 2023 09:02 52s
minor cleaning cis parser Test & upload to PyPI #168: Commit aab2eb6 pushed by abelcarreras
August 16, 2023 16:06 1m 10s development
development
August 16, 2023 16:06 1m 10s
fix cis diabatic mulliken analysis parsing Test & upload to PyPI #167: Commit ec6c2c5 pushed by abelcarreras
August 16, 2023 12:31 54s development
development
August 16, 2023 12:31 54s
fix vertical line not showing in plot_diabatic function Test & upload to PyPI #166: Commit d45aa98 pushed by abelcarreras
August 16, 2023 08:45 59s development
development
August 16, 2023 08:45 59s
move functions in order_states to utils Test & upload to PyPI #165: Commit cec6297 pushed by abelcarreras
August 14, 2023 10:27 1m 0s development
development
August 14, 2023 10:27 1m 0s
move gtensor functions to tools folder Test & upload to PyPI #164: Commit 734e97e pushed by abelcarreras
August 14, 2023 10:19 55s development
development
August 14, 2023 10:19 55s
Merge remote-tracking branch 'origin/development' into development Test & upload to PyPI #163: Commit 9fcc21f pushed by abelcarreras
July 27, 2023 09:37 51s development
development
July 27, 2023 09:37 51s