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Add missing box in random_configuration Lint #15: Commit e190895 pushed by juraskov
December 7, 2023 15:02 24s box-fix
box-fix
December 7, 2023 15:02 24s
Merge branch 'main' into ruff-formater Lint #14: Commit 2bcfd99 pushed by juraskov
November 16, 2023 15:26 23s ruff-formater
ruff-formater
November 16, 2023 15:26 23s
Add Ruff formatter and resulting format changes Lint #13: Commit c790a2d pushed by juraskov
November 16, 2023 14:30 29s ruff-formater
ruff-formater
November 16, 2023 14:30 29s
Install right quippy via pip Lint #12: Commit 29a7edc pushed by juraskov
November 16, 2023 13:52 30s gap-fix
gap-fix
November 16, 2023 13:52 30s
Adding OpenMM as an optional MD engine (#55) pytest #4: Commit 3ba53a5 pushed by juraskov
November 6, 2023 14:28 5m 19s main
main
November 6, 2023 14:28 5m 19s
Adding OpenMM as an optional MD engine (#55) Lint #11: Commit 3ba53a5 pushed by juraskov
November 6, 2023 14:28 29s main
main
November 6, 2023 14:28 29s
Add pre commit (#66) pytest #3: Commit 41fbb2c pushed by juraskov
October 30, 2023 09:56 4m 51s main
main
October 30, 2023 09:56 4m 51s
Add pre commit (#66) Lint #10: Commit 41fbb2c pushed by juraskov
October 30, 2023 09:56 35s main
main
October 30, 2023 09:56 35s
Change references to citations in README Lint #9: Commit d672d62 pushed by juraskov
October 30, 2023 09:09 26s add-pre-commit
add-pre-commit
October 30, 2023 09:09 26s
Switch from setup.py to pyproject.toml (#67) pytest #2: Commit be29fa9 pushed by juraskov
October 28, 2023 12:46 2m 4s main
main
October 28, 2023 12:46 2m 4s
Merge branch 'main' into add-pre-commit Lint #8: Commit 601b76d pushed by juraskov
October 28, 2023 12:43 23s add-pre-commit
add-pre-commit
October 28, 2023 12:43 23s
Update README.md more Lint #7: Commit b8d0ec9 pushed by juraskov
October 27, 2023 16:34 17s add-pre-commit
add-pre-commit
October 27, 2023 16:34 17s
Update README.md Lint #6: Commit 381af19 pushed by juraskov
October 27, 2023 14:33 16s add-pre-commit
add-pre-commit
October 27, 2023 14:33 16s
Add pre-commit to dependencies Lint #5: Commit 4bb9b13 pushed by juraskov
October 27, 2023 12:25 23s add-pre-commit
add-pre-commit
October 27, 2023 12:25 23s
Skip ENV for pre-commit Lint #4: Commit 5ad9ab4 pushed by juraskov
October 27, 2023 11:30 19s add-pre-commit
add-pre-commit
October 27, 2023 11:30 19s
Update pre-commit hooks Lint #3: Commit 8f6d1c8 pushed by juraskov
October 27, 2023 11:13 37s add-pre-commit
add-pre-commit
October 27, 2023 11:13 37s
Switch from requirement.txt to environment.yml (#64) pytest #1: Commit 6e822b6 pushed by juraskov
October 27, 2023 11:10 4m 27s main
main
October 27, 2023 11:10 4m 27s
Manual fix of errors found by linter Lint #2: Commit 63626fb pushed by juraskov
October 20, 2023 09:56 26s add-pre-commit
add-pre-commit
October 20, 2023 09:56 26s
Add pre-commit to CI Lint #1: Commit 82dd3c9 pushed by juraskov
October 19, 2023 10:47 29s add-pre-commit
add-pre-commit
October 19, 2023 10:47 29s