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Set default reorder to inertia-hungarian. Lint with black #86: Commit 928bf84 pushed by hmcezar
January 11, 2025 18:20 20s 0.3.3
0.3.3
January 11, 2025 18:20 20s
Set default reorder to inertia-hungarian. Lint with black #85: Commit 928bf84 pushed by hmcezar
January 11, 2025 18:20 20s master
master
January 11, 2025 18:20 20s
Fix RMSD with weight and without final Kabsch Lint with black #84: Commit 6c04677 pushed by hmcezar
January 11, 2025 18:11 14s 0.3.2
0.3.2
January 11, 2025 18:11 14s
Fix RMSD with weight and without final Kabsch Lint with black #83: Commit 6c04677 pushed by hmcezar
January 11, 2025 18:11 19s master
master
January 11, 2025 18:11 19s
Improve detection of in and out formats. Lint with black #82: Commit 43d635a pushed by hmcezar
December 26, 2024 19:24 15s 0.3.1
0.3.1
December 26, 2024 19:24 15s
Improve detection of in and out formats. Lint with black #81: Commit 43d635a pushed by hmcezar
December 26, 2024 19:24 29s master
master
December 26, 2024 19:24 29s
Bump version. Lint with black #80: Commit f838ff2 pushed by hmcezar
December 26, 2024 15:47 18s 0.3.0
0.3.0
December 26, 2024 15:47 18s
Bump version. Lint with black #79: Commit f838ff2 pushed by hmcezar
December 26, 2024 15:47 21s master
master
December 26, 2024 15:47 21s
Merge pull request #15 from hmcezar/weighted-solvent Lint with black #78: Commit 5378d56 pushed by hmcezar
December 26, 2024 15:45 20s master
master
December 26, 2024 15:45 20s
Weighted solute-solvent contributions Lint with black #77: Pull request #15 synchronize by hmcezar
December 26, 2024 14:38 19s weighted-solvent
weighted-solvent
December 26, 2024 14:38 19s
Add solvent only reordering to output. Lint with black #76: Commit 7a1dc77 pushed by hmcezar
December 26, 2024 14:38 20s weighted-solvent
weighted-solvent
December 26, 2024 14:38 20s
Weighted solute-solvent contributions Lint with black #75: Pull request #15 synchronize by hmcezar
December 26, 2024 11:30 17s weighted-solvent
weighted-solvent
December 26, 2024 11:30 17s
Add option to reorder only the solvent. Lint with black #74: Commit a290ef1 pushed by hmcezar
December 26, 2024 11:30 20s weighted-solvent
weighted-solvent
December 26, 2024 11:30 20s
Weighted solute-solvent contributions Lint with black #73: Pull request #15 opened by hmcezar
December 25, 2024 21:02 22s weighted-solvent
weighted-solvent
December 25, 2024 21:02 22s
Add weights to save_cluster_config. Lint with black #72: Commit f08e542 pushed by hmcezar
December 25, 2024 21:00 15s weighted-solvent
weighted-solvent
December 25, 2024 21:00 15s
Fix variable name. Lint with black #71: Commit 447c0ae pushed by hmcezar
December 25, 2024 17:42 17s weighted-solvent
weighted-solvent
December 25, 2024 17:42 17s
Add weight of solute to output. Lint with black #70: Commit a779308 pushed by hmcezar
December 25, 2024 17:29 18s weighted-solvent
weighted-solvent
December 25, 2024 17:29 18s
Fix tests. Lint with black #69: Commit e607f4d pushed by hmcezar
December 25, 2024 17:26 19s weighted-solvent
weighted-solvent
December 25, 2024 17:26 19s
Add keyword for weighting the solute and solvent. Lint with black #68: Commit fae1be4 pushed by hmcezar
December 25, 2024 16:59 21s weighted-solvent
weighted-solvent
December 25, 2024 16:59 21s
Change versions of GitHub Actions for release. Lint with black #67: Commit fd0badb pushed by hmcezar
December 20, 2024 08:55 15s 0.2.1
0.2.1
December 20, 2024 08:55 15s
Change versions of GitHub Actions for release. Lint with black #66: Commit fd0badb pushed by hmcezar
December 20, 2024 08:54 18s master
master
December 20, 2024 08:54 18s
Bump version for release. Lint with black #65: Commit 8b1fc98 pushed by hmcezar
December 20, 2024 08:47 19s 0.2.0
0.2.0
December 20, 2024 08:47 19s
Bump version for release. Lint with black #64: Commit 8b1fc98 pushed by hmcezar
December 20, 2024 08:45 17s master
master
December 20, 2024 08:45 17s
Merge pull request #13 from hmcezar/hotfix-ci-errors Lint with black #63: Commit 5816856 pushed by hmcezar
December 19, 2024 15:58 18s master
master
December 19, 2024 15:58 18s
Fixes CI errors and move to qmllib. Lint with black #62: Pull request #13 synchronize by hmcezar
December 19, 2024 15:54 16s hotfix-ci-errors
hotfix-ci-errors
December 19, 2024 15:54 16s