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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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May 16, 2024 20:10 1m 28s
new way of parsing HISTORY Run Tests #44: Commit 4ca47cd pushed by m-julian
May 16, 2024 20:05 1m 22s main
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May 16, 2024 20:05 1m 22s
new way of parsing HISTORY Run Tests #43: Commit 91a25db pushed by m-julian
May 16, 2024 20:03 1m 51s main
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May 16, 2024 20:03 1m 51s
update plotting style Run Tests #42: Commit ba01286 pushed by m-julian
May 16, 2024 18:31 1m 24s main
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May 16, 2024 18:31 1m 24s
Update README.md Run Tests #41: Commit 07c479e pushed by m-julian
May 12, 2024 19:53 1m 15s main
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May 12, 2024 19:53 1m 15s
update to v4.0.3 Run Tests #40: Commit d0c9a93 pushed by m-julian
May 12, 2024 19:48 1m 17s main
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May 12, 2024 19:48 1m 17s
Revert "update version" Run Tests #39: Commit 51f98ab pushed by m-julian
May 12, 2024 19:45 1m 20s main
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May 12, 2024 19:45 1m 20s
remove buildermethod Run Tests #38: Commit 3b941ee pushed by m-julian
May 12, 2024 19:35 1m 22s main
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May 12, 2024 19:35 1m 22s
update version Run Tests #37: Commit c70255e pushed by m-julian
May 12, 2024 19:24 1m 13s main
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May 12, 2024 19:24 1m 13s
Revert "update version" Run Tests #36: Commit 3ad57f3 pushed by m-julian
May 12, 2024 19:20 1m 22s main
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May 12, 2024 19:20 1m 22s