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feat: Merge pull request #14 from hits-mbm-dev/grappa1.1_compatible
release-please #21: Commit 3b545f6 pushed by ehhartmann
February 26, 2024 18:00 36s main
February 26, 2024 18:00 36s
feat: make grappa v.1.1 compatible (tested)
lint #13: Pull request #14 opened by ehhartmann
February 26, 2024 17:59 18s grappa1.1_compatible
February 26, 2024 17:59 18s
Grappa1.1compatible
lint #12: Pull request #13 opened by LeifSeute
February 23, 2024 07:16 16s grappa1.1compatible
February 23, 2024 07:16 16s
Update README.md
release-please #20: Commit 401c409 pushed by ehhartmann
February 14, 2024 12:33 22s main
February 14, 2024 12:33 22s
Merge pull request #10 from hits-mbm-dev/release-please--branches--ma…
release-please #19: Commit 5395f8f pushed by ehhartmann
February 12, 2024 12:41 14d 23h 33m 30s main
February 12, 2024 12:41 14d 23h 33m 30s
fix_test
release-please #18: Commit df15f11 pushed by ehhartmann
February 12, 2024 12:39 19s main
February 12, 2024 12:39 19s
Merge pull request #9 from LeifSeute/patch-1
release-please #17: Commit 5deae94 pushed by ehhartmann
February 12, 2024 12:11 29s main
February 12, 2024 12:11 29s
Merge pull request #8 from hits-mbm-dev/logging-spam
release-please #16: Commit 48eae07 pushed by ehhartmann
February 12, 2024 12:06 25s main
February 12, 2024 12:06 25s
Update README.md
release-please #15: Commit 890d703 pushed by ehhartmann
February 12, 2024 12:06 25s main
February 12, 2024 12:06 25s
Update grappa_interface.py to make it comatible with grappa-1.0.0
lint #11: Pull request #9 synchronize by KRiedmiller
February 9, 2024 15:51 20s patch-1
February 9, 2024 15:51 20s
Update grappa_interface.py to make it comatible with grappa-1.0.0
lint #10: Pull request #9 opened by LeifSeute
February 9, 2024 15:28 15s patch-1
February 9, 2024 15:28 15s
Update LICENSE
release-please #14: Commit 8c877dd pushed by ehhartmann
February 9, 2024 13:07 22s main
February 9, 2024 13:07 22s
Fix: don't dump mol into log
lint #9: Pull request #8 opened by KRiedmiller
February 9, 2024 10:19 18s logging-spam
February 9, 2024 10:19 18s
Merge pull request #6 from hits-mbm-dev/release-please--branches--mai…
release-please #13: Commit d166dd3 pushed by ehhartmann
February 2, 2024 14:06 30d 0h 0m 54s main
February 2, 2024 14:06 30d 0h 0m 54s
Merge pull request #5 from hits-mbm-dev/compatiblity/grappa_refactor
release-please #12: Commit 5bc8ec2 pushed by KRiedmiller
January 31, 2024 09:49 26s main
January 31, 2024 09:49 26s
Compatiblity/grappa refactor
lint #8: Pull request #5 synchronize by KRiedmiller
January 31, 2024 09:49 19s compatiblity/grappa_refactor
January 31, 2024 09:49 19s
Compatiblity/grappa refactor
lint #7: Pull request #5 synchronize by KRiedmiller
January 31, 2024 09:36 18s compatiblity/grappa_refactor
January 31, 2024 09:36 18s
Compatiblity/grappa refactor
lint #6: Pull request #5 synchronize by ehhartmann
January 26, 2024 15:18 18s compatiblity/grappa_refactor
January 26, 2024 15:18 18s
Compatiblity/grappa refactor
lint #5: Pull request #5 synchronize by ehhartmann
January 26, 2024 15:12 21s compatiblity/grappa_refactor
January 26, 2024 15:12 21s
Compatiblity/grappa refactor
lint #4: Pull request #5 synchronize by ehhartmann
December 19, 2023 18:15 22s compatiblity/grappa_refactor
December 19, 2023 18:15 22s
Compatiblity/grappa refactor
lint #3: Pull request #5 synchronize by ehhartmann
December 19, 2023 13:20 20s compatiblity/grappa_refactor
December 19, 2023 13:20 20s
Compatiblity/grappa refactor
lint #2: Pull request #5 synchronize by ehhartmann
December 19, 2023 13:18 18s compatiblity/grappa_refactor
December 19, 2023 13:18 18s
Compatiblity/grappa refactor
lint #1: Pull request #5 opened by ehhartmann
December 19, 2023 13:17 24s compatiblity/grappa_refactor
December 19, 2023 13:17 24s
fix resid order problem
release-please #11: Commit 902398b pushed by ehhartmann
November 15, 2023 17:49 21s main
November 15, 2023 17:49 21s
fix atom number generation for grappa input
release-please #10: Commit c53c6d2 pushed by ehhartmann
November 14, 2023 13:26 27s main
November 14, 2023 13:26 27s