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Update TIP5P comparison (#1744)
lint #4096: Commit ee672ff pushed by mattwthompson
November 9, 2023 18:37 21s main
November 9, 2023 18:37 21s
Update TIP5P comparison (#1744)
Examples #3567: Commit ee672ff pushed by mattwthompson
November 9, 2023 18:37 52m 46s main
November 9, 2023 18:37 52m 46s
Update TIP5P comparison (#1744)
CI #5442: Commit ee672ff pushed by mattwthompson
November 9, 2023 18:37 1h 5m 35s main
November 9, 2023 18:37 1h 5m 35s
Update TIP5P comparison
CI #5441: Pull request #1744 synchronize by mattwthompson
November 9, 2023 18:36 28m 29s update-vsite-showcase
November 9, 2023 18:36 28m 29s
Update TIP5P comparison
Examples #3566: Pull request #1744 synchronize by mattwthompson
November 9, 2023 18:36 53m 7s update-vsite-showcase
November 9, 2023 18:36 53m 7s
Final edits
lint #4095: Commit d253c91 pushed by mattwthompson
November 9, 2023 18:36 19s update-vsite-showcase
November 9, 2023 18:36 19s
Conda latest
Conda latest #1275: Scheduled
November 9, 2023 00:07 3h 8m 19s main
November 9, 2023 00:07 3h 8m 19s
Examples
Examples #3565: Scheduled
November 9, 2023 00:07 47m 39s main
November 9, 2023 00:07 47m 39s
CI
CI #5440: Scheduled
November 9, 2023 00:06 1h 58m 13s main
November 9, 2023 00:06 1h 58m 13s
Update Molecule.from_qcschema, notebook
Examples #3564: Pull request #1763 synchronize by mattwthompson
November 8, 2023 20:26 20m 4s new-qcarchive
November 8, 2023 20:26 20m 4s
Update Molecule.from_qcschema, notebook
CI #5439: Pull request #1763 synchronize by mattwthompson
November 8, 2023 20:26 20m 45s new-qcarchive
November 8, 2023 20:26 20m 45s
Update some tests
lint #4094: Commit 16b580d pushed by mattwthompson
November 8, 2023 20:26 19s new-qcarchive
November 8, 2023 20:26 19s
Update Molecule.from_qcschema, notebook
CI #5438: Pull request #1763 opened by mattwthompson
November 8, 2023 16:19 18m 47s new-qcarchive
November 8, 2023 16:19 18m 47s
Update Molecule.from_qcschema, notebook
Examples #3563: Pull request #1763 opened by mattwthompson
November 8, 2023 16:19 21m 26s new-qcarchive
November 8, 2023 16:19 21m 26s
Update Molecule.from_qcshema, notebook
lint #4093: Commit 1e02018 pushed by mattwthompson
November 8, 2023 16:14 30s new-qcarchive
November 8, 2023 16:14 30s
Conda latest
Conda latest #1274: Scheduled
November 8, 2023 00:07 3h 40m 21s main
November 8, 2023 00:07 3h 40m 21s
Examples
Examples #3562: Scheduled
November 8, 2023 00:07 50m 52s main
November 8, 2023 00:07 50m 52s
CI
CI #5437: Scheduled
November 8, 2023 00:06 1h 50m 3s main
November 8, 2023 00:06 1h 50m 3s
Update TIP5P comparison
Examples #3561: Pull request #1744 synchronize by mattwthompson
November 7, 2023 16:56 39m 45s update-vsite-showcase
November 7, 2023 16:56 39m 45s
Update TIP5P comparison
CI #5436: Pull request #1744 synchronize by mattwthompson
November 7, 2023 16:56 34m 2s update-vsite-showcase
November 7, 2023 16:56 34m 2s
Lint
lint #4091: Commit 2464ff0 pushed by mattwthompson
November 7, 2023 16:54 26s update-vsite-showcase
November 7, 2023 16:54 26s
Update notebook
lint #4090: Commit ab5122b pushed by mattwthompson
November 7, 2023 16:48 23s update-vsite-showcase
November 7, 2023 16:48 23s
Use bundled TIP5P force field definition
lint #4089: Commit 9243ee6 pushed by mattwthompson
November 7, 2023 15:48 19s update-vsite-showcase
November 7, 2023 15:48 19s
Add newline at end of OFFXML files
Examples #3560: Pull request #1762 opened by mattwthompson
November 7, 2023 15:01 28m 26s add-newline-offxml
November 7, 2023 15:01 28m 26s