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introduce TOML configuration file CI #14: Commit faeae97 pushed by marcelmbn
August 14, 2024 17:04 2m 6s main
main
August 14, 2024 17:04 2m 6s
add tests for HL gap check§ CI #13: Commit 4fb8a78 pushed by marcelmbn
August 14, 2024 11:39 2m 26s main
main
August 14, 2024 11:39 2m 26s
add tests for fragment detection and molecule generation; correct bug… CI #12: Commit e71f1fe pushed by marcelmbn
August 13, 2024 16:50 1m 59s main
main
August 13, 2024 16:50 1m 59s
self-consistent generation, better metal check, better printout CI #11: Commit dad8d7d pushed by marcelmbn
August 13, 2024 15:39 1m 15s main
main
August 13, 2024 15:39 1m 15s
Merge branch 'main' of github.com:marcelmbn/MindlessGen CI #10: Commit 2450b8d pushed by marcelmbn
August 13, 2024 09:20 2m 2s main
main
August 13, 2024 09:20 2m 2s
add xtb support to mindlessgen CI #9: Commit 96ae179 pushed by marcelmbn
August 13, 2024 09:10 1m 25s main
main
August 13, 2024 09:10 1m 25s
Merge branch 'main' of github.com:marcelmbn/MindlessGen CI #8: Commit 5670a5c pushed by marcelmbn
August 12, 2024 21:46 1m 55s main
main
August 12, 2024 21:46 1m 55s
re-work atom type list to be apparent in two different versions CI #7: Commit 250d450 pushed by marcelmbn
August 12, 2024 14:58 1m 50s main
main
August 12, 2024 14:58 1m 50s
update gitignore and limit to Python 3.10 and higher CI #6: Commit 452b8df pushed by marcelmbn
August 12, 2024 08:39 2m 46s main
main
August 12, 2024 08:39 2m 46s
initial molecule array generation CI #5: Commit 0dbaecc pushed by marcelmbn
August 12, 2024 08:34 1m 15s main
main
August 12, 2024 08:34 1m 15s
switch ordering to avoid formatting files generated by setuptools_scm CI #4: Commit a45da81 pushed by marcelmbn
August 11, 2024 16:57 1m 43s main
main
August 11, 2024 16:57 1m 43s
reduce required CI ressources CI #3: Commit fa62e49 pushed by marcelmbn
August 11, 2024 16:54 30s main
main
August 11, 2024 16:54 30s
add linting, formatting, and static type checking to CI CI #2: Commit 29853b2 pushed by marcelmbn
August 11, 2024 16:38 2m 9s main
main
August 11, 2024 16:38 2m 9s
include CI workflow CI #1: Commit 40508a9 pushed by marcelmbn
August 11, 2024 16:03 1m 15s main
main
August 11, 2024 16:03 1m 15s
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