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Set default reorder to inertia-hungarian.
Docs #58: Commit 928bf84 pushed by hmcezar
January 11, 2025 18:20 35s master
January 11, 2025 18:20 35s
Fix RMSD with weight and without final Kabsch
Docs #57: Commit 6c04677 pushed by hmcezar
January 11, 2025 18:11 42s master
January 11, 2025 18:11 42s
Improve detection of in and out formats.
Docs #56: Commit 43d635a pushed by hmcezar
December 26, 2024 19:24 38s master
December 26, 2024 19:24 38s
Bump version.
Docs #55: Commit f838ff2 pushed by hmcezar
December 26, 2024 15:47 37s master
December 26, 2024 15:47 37s
Merge pull request #15 from hmcezar/weighted-solvent
Docs #54: Commit 5378d56 pushed by hmcezar
December 26, 2024 15:45 38s master
December 26, 2024 15:45 38s
Weighted solute-solvent contributions
Docs #53: Pull request #15 synchronize by hmcezar
December 26, 2024 14:38 38s weighted-solvent
December 26, 2024 14:38 38s
Weighted solute-solvent contributions
Docs #52: Pull request #15 synchronize by hmcezar
December 26, 2024 11:30 32s weighted-solvent
December 26, 2024 11:30 32s
Weighted solute-solvent contributions
Docs #51: Pull request #15 opened by hmcezar
December 25, 2024 21:02 33s weighted-solvent
December 25, 2024 21:02 33s
Change versions of GitHub Actions for release.
Docs #50: Commit fd0badb pushed by hmcezar
December 20, 2024 08:54 38s master
December 20, 2024 08:54 38s
Bump version for release.
Docs #49: Commit 8b1fc98 pushed by hmcezar
December 20, 2024 08:45 41s master
December 20, 2024 08:45 41s
Merge pull request #13 from hmcezar/hotfix-ci-errors
Docs #48: Commit 5816856 pushed by hmcezar
December 19, 2024 15:58 38s master
December 19, 2024 15:58 38s
Fixes CI errors and move to qmllib.
Docs #47: Pull request #13 synchronize by hmcezar
December 19, 2024 15:54 37s hotfix-ci-errors
December 19, 2024 15:54 37s
Fixes CI errors and move to qmllib.
Docs #46: Pull request #13 synchronize by hmcezar
December 19, 2024 15:42 33s hotfix-ci-errors
December 19, 2024 15:42 33s
Fixes CI errors and move to qmllib.
Docs #45: Pull request #13 synchronize by hmcezar
December 19, 2024 15:32 36s hotfix-ci-errors
December 19, 2024 15:32 36s
Fixes CI errors and move to qmllib.
Docs #44: Pull request #13 opened by hmcezar
December 19, 2024 15:29 41s hotfix-ci-errors
December 19, 2024 15:29 41s
Merge pull request #12 from rafaelbicudo/packaging
Docs #43: Commit a568a59 pushed by rafaelbicudo
December 19, 2024 14:13 46s master
December 19, 2024 14:13 46s
Packaging
Docs #42: Pull request #12 opened by rafaelbicudo
December 19, 2024 14:11 36s rafaelbicudo:packaging
December 19, 2024 14:11 36s
September 4, 2024 07:25 54s
Merge pull request #10 from hmcezar/timings
Docs #39: Commit 711867a pushed by hmcezar
January 15, 2024 18:00 33s master
January 15, 2024 18:00 33s
Add timings with --verbose.
Docs #38: Pull request #10 opened by hmcezar
January 15, 2024 17:59 38s timings
January 15, 2024 17:59 38s
Merge pull request #9 from rafaelbicudo/metrics
Docs #37: Commit 64147b9 pushed by hmcezar
January 12, 2024 15:40 36s master
January 12, 2024 15:40 36s
Examples and metrics
Docs #36: Pull request #9 synchronize by hmcezar
January 12, 2024 15:36 38s rafaelbicudo:metrics
January 12, 2024 15:36 38s
Examples and metrics
Docs #35: Pull request #9 synchronize by hmcezar
January 12, 2024 15:07 35s rafaelbicudo:metrics
January 12, 2024 15:07 35s