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Removed unused os import CI #41: Commit 23c6e5d pushed by SiebeLeDe
17s development
development
17s
Fixed escaping backlash in test for getting paths correctly expanded … CI #40: Commit 0c0e2ca pushed by SiebeLeDe
30s development
development
30s
Improved get_fragment_orbital_energy function (refactored; is shared … CI #39: Commit ccff9f2 pushed by SiebeLeDe
16s development
development
16s
Added .DS_store to PyFrag/.gitignore CI #38: Commit 1ff2dd1 pushed by SiebeLeDe
16s development
development
16s
added summary of calculation CI #37: Commit 2243e45 pushed by SiebeLeDe
17s development
development
17s
Improved formatting CI #36: Commit a71e0ad pushed by SiebeLeDe
18s development
development
18s
cluster sync CI #35: Commit cfaf94e pushed by SiebeLeDe
18s development
development
18s
pages build and deployment pages-build-deployment #30: by SiebeLeDe
48s master
master
48s
pages build and deployment pages-build-deployment #29: by SiebeLeDe
40s master
master
40s
pages build and deployment pages-build-deployment #28: by SiebeLeDe
25s master
master
25s
Update job example scripts for improved SLURM compatibility and path … CI #34: Commit 796c429 pushed by SiebeLeDe
25s development
development
25s
Standardized the naming of the input files and the coordfile option i… CI #33: Commit c4671c9 pushed by SiebeLeDe
16s development
development
16s
Add tests for expandvars_backslash and find_files_with_wildcard_optio… CI #32: Commit 9c660ee pushed by SiebeLeDe
17s development
development
17s
Publish to PyPI Publish to PyPI #18: published by SiebeLeDe
1m 1s
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Publish to PyPI Publish to PyPI #17: prereleased by SiebeLeDe
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Publish to PyPI Publish to PyPI #16: published by SiebeLeDe
55s
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Publish to PyPI Publish to PyPI #15: prereleased by SiebeLeDe
59s
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Add check to remove existing job directory before initialization CI #31: Commit b4d20c2 pushed by SiebeLeDe
18s development
development
18s
Improved error handling for the executable path not found scenario. CI #30: Commit e6813d0 pushed by SiebeLeDe
15s development
development
15s
Publish to PyPI Publish to PyPI #14: published by SiebeLeDe
1m 4s
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Publish to PyPI Publish to PyPI #13: prereleased by SiebeLeDe
1m 3s
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Removed explicit error upon deprecated key use CI #29: Commit 65bf909 pushed by SiebeLeDe
16s development
development
16s
Publish to PyPI Publish to PyPI #12: published by SiebeLeDe
1m 8s
1m 8s
Disable PyPI test publishing because we do not have a test PyPI organ… CI #28: Commit 4910606 pushed by SiebeLeDe
15s development
development
15s
Publish to PyPI Publish to PyPI #11: published by SiebeLeDe
55s
55s