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Fix possible typo in ordering
ci #40: Pull request #17 opened by mattwthompson
February 16, 2024 17:14 1m 32s fix-ordering
February 16, 2024 17:14 1m 32s
January 25, 2024 18:23 1m 43s
Add internal coordinate RMSD method
ci #38: Pull request #15 synchronize by mattwthompson
January 25, 2024 17:34 1m 27s add-internal-coordinate-rmsds
January 25, 2024 17:34 1m 27s
Merge pull request #13 from mattwthompson/get_records
ci #36: Commit 0d3bbe8 pushed by mattwthompson
January 18, 2024 22:32 1m 16s main
January 18, 2024 22:32 1m 16s
Add record helpers
ci #35: Pull request #13 synchronize by mattwthompson
January 18, 2024 22:30 1m 18s get_records
January 18, 2024 22:30 1m 18s
Add record helpers
ci #34: Pull request #13 opened by mattwthompson
January 18, 2024 22:12 1m 29s get_records
January 18, 2024 22:12 1m 29s
Merge pull request #12 from mattwthompson/new-qcarhive
ci #33: Commit bf3dcb4 pushed by mattwthompson
December 5, 2023 16:15 1m 24s main
December 5, 2023 16:15 1m 24s
Use new QCArchive APIs
ci #32: Pull request #12 synchronize by mattwthompson
December 5, 2023 16:00 1m 25s new-qcarhive
December 5, 2023 16:00 1m 25s
Merge pull request #11 from mattwthompson/sort-qcarchive-id
ci #31: Commit 1b661cf pushed by mattwthompson
December 5, 2023 15:59 1m 52s main
December 5, 2023 15:59 1m 52s
Sort getters by QCArchive ID
ci #30: Pull request #11 synchronize by mattwthompson
December 5, 2023 05:12 1m 40s sort-qcarchive-id
December 5, 2023 05:12 1m 40s
Use new QCArchive APIs
ci #29: Pull request #12 opened by mattwthompson
December 5, 2023 04:17 1m 24s new-qcarhive
December 5, 2023 04:17 1m 24s
Sort getters by QCArchive ID
ci #28: Pull request #11 opened by mattwthompson
November 16, 2023 21:02 1m 51s sort-qcarchive-id
November 16, 2023 21:02 1m 51s
October 23, 2023 22:16 2m 47s
Skip isomorphism check by default
ci #26: Pull request #8 synchronize by mattwthompson
October 23, 2023 22:14 2m 48s skip-isomorphism-check
October 23, 2023 22:14 2m 48s
Set up versioneer
ci #25: Commit 09a8c5d pushed by mattwthompson
October 23, 2023 16:19 2m 52s main
October 23, 2023 16:19 2m 52s
Skip isomorphism check by default
ci #24: Pull request #8 opened by mattwthompson
October 23, 2023 16:11 2m 59s skip-isomorphism-check
October 23, 2023 16:11 2m 59s
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