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Merge pull request #58 from ej159/main Run Tests #70: Commit df72fcc pushed by m-julian
June 25, 2024 11:47 1m 16s main
main
June 25, 2024 11:47 1m 16s
Fix CONTRIBUTING.md Run Tests #69: Pull request #58 reopened by ej159
June 25, 2024 11:40 1m 15s ej159:main
ej159:main
June 25, 2024 11:40 1m 15s
Fix CONTRIBUTING.md Run Tests #68: Pull request #58 synchronize by ej159
June 25, 2024 11:40 1m 16s ej159:main
ej159:main
June 25, 2024 11:40 1m 16s
Added copy command and split headings Run Tests #67: Pull request #63 opened by Th0ught09
June 25, 2024 11:34 1m 21s Th0ught09:main
Th0ught09:main
June 25, 2024 11:34 1m 21s
Merge pull request #60 from QuantuMechanix8/main Run Tests #66: Commit 836b01b pushed by m-julian
June 25, 2024 11:30 1m 22s main
main
June 25, 2024 11:30 1m 22s
add pandoc req and typo fix in CONTRIBUTING.md Run Tests #65: Pull request #60 opened by QuantuMechanix8
June 25, 2024 11:17 1m 25s QuantuMechanix8:main
QuantuMechanix8:main
June 25, 2024 11:17 1m 25s
Revert "update function params" Run Tests #63: Commit 255966b pushed by m-julian
June 23, 2024 06:31 1m 24s main
main
June 23, 2024 06:31 1m 24s
update function params Run Tests #62: Commit b6f521c pushed by m-julian
June 23, 2024 06:10 1m 20s main
main
June 23, 2024 06:10 1m 20s
update array indices to account for different ALFs Run Tests #61: Commit 91dc7f9 pushed by m-julian
June 23, 2024 05:50 1m 23s main
main
June 23, 2024 05:50 1m 23s
add comments Run Tests #60: Commit 3cae2ed pushed by m-julian
June 22, 2024 11:33 1m 10s main
main
June 22, 2024 11:33 1m 10s
change units to Bohr Run Tests #59: Commit 08a728b pushed by m-julian
June 22, 2024 10:40 1m 17s main
main
June 22, 2024 10:40 1m 17s
update wfn file parsing Run Tests #58: Commit 9978015 pushed by m-julian
June 19, 2024 22:46 1m 14s main
main
June 19, 2024 22:46 1m 14s
update docstrings Run Tests #57: Commit 812cfcb pushed by m-julian
June 19, 2024 13:48 1m 34s main
main
June 19, 2024 13:48 1m 34s
add case for 2 atoms Run Tests #56: Commit 5e7317b pushed by m-julian
June 17, 2024 15:21 1m 31s main
main
June 17, 2024 15:21 1m 31s
update details Run Tests #55: Commit ed0b62d pushed by m-julian
June 15, 2024 19:24 1m 21s main
main
June 15, 2024 19:24 1m 21s
fix positional argument Run Tests #54: Commit 730b6fa pushed by m-julian
June 11, 2024 14:58 1m 30s main
main
June 11, 2024 14:58 1m 30s
update docstring Run Tests #53: Commit 18015d1 pushed by m-julian
June 11, 2024 11:01 1m 58s main
main
June 11, 2024 11:01 1m 58s
add snippet to run all hooks Run Tests #52: Commit e65099d pushed by m-julian
June 10, 2024 19:05 1m 24s main
main
June 10, 2024 19:05 1m 24s
improve docstring Run Tests #51: Commit 78c02c4 pushed by m-julian
June 10, 2024 17:12 1m 18s main
main
June 10, 2024 17:12 1m 18s
g16 on csf3 Run Tests #50: Commit 2552892 pushed by m-julian
June 5, 2024 11:50 1m 20s main
main
June 5, 2024 11:50 1m 20s
bug fix for reading existing file Run Tests #49: Commit f47b14c pushed by m-julian
June 5, 2024 11:30 1m 19s main
main
June 5, 2024 11:30 1m 19s
add fix for trajectory duplication Run Tests #48: Commit 9d9af8c pushed by m-julian
June 5, 2024 11:18 1m 32s main
main
June 5, 2024 11:18 1m 32s
add dihedral calculation Run Tests #47: Commit 9067348 pushed by m-julian
May 28, 2024 13:54 1m 24s main
main
May 28, 2024 13:54 1m 24s
prevent grabbing energies if missing geometries in HISTORY Run Tests #46: Commit b8e2fbd pushed by m-julian
May 16, 2024 20:23 1m 23s main
main
May 16, 2024 20:23 1m 23s
rename DlPolyHistory class Run Tests #45: Commit 3c7bcfd pushed by m-julian
May 16, 2024 20:10 1m 28s main
main
May 16, 2024 20:10 1m 28s