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Add pytest support
CI #253: Pull request #50 synchronize by wilsonh1
May 8, 2024 17:32 2m 22s tests
May 8, 2024 17:32 2m 22s
Add pytest support
CI #252: Pull request #50 synchronize by wilsonh1
May 8, 2024 15:26 2m 30s tests
May 8, 2024 15:26 2m 30s
Add pytest support
CI #251: Pull request #50 synchronize by wilsonh1
May 8, 2024 15:13 2m 32s tests
May 8, 2024 15:13 2m 32s
Add pytest support
CI #250: Pull request #50 opened by wilsonh1
May 8, 2024 14:53 45s tests
May 8, 2024 14:53 45s
CI
CI #249: Scheduled
May 5, 2024 00:01 2m 22s main
May 5, 2024 00:01 2m 22s
Add max atom count parameter (#49)
CI #248: Commit fe44e63 pushed by wilsonh1
April 29, 2024 16:00 6h 0m 13s main
April 29, 2024 16:00 6h 0m 13s
Add max atom count parameter
CI #247: Pull request #49 synchronize by wilsonh1
April 29, 2024 15:44 6h 0m 12s max_atoms
April 29, 2024 15:44 6h 0m 12s
Add max atom count parameter
CI #246: Pull request #49 opened by wilsonh1
April 29, 2024 15:06 6h 0m 11s max_atoms
April 29, 2024 15:06 6h 0m 11s
Merge nearby cluster centers (#48)
CI #245: Commit 241e58c pushed by wilsonh1
April 29, 2024 14:41 6h 0m 12s main
April 29, 2024 14:41 6h 0m 12s
CI
CI #244: Scheduled
April 28, 2024 00:02 6h 0m 15s main
April 28, 2024 00:02 6h 0m 15s
CI
CI #243: Scheduled
April 21, 2024 00:01 2m 39s main
April 21, 2024 00:01 2m 39s
Merge nearby cluster centers
CI #242: Pull request #48 opened by wilsonh1
April 17, 2024 15:18 1m 43s merge_centers
April 17, 2024 15:18 1m 43s
CI
CI #241: Scheduled
April 14, 2024 00:05 2m 53s main
April 14, 2024 00:05 2m 53s
options of writing hetero atoms to cluster pdb
CI #240: Commit 83d4915 pushed by Benzoin96485
April 8, 2024 00:18 1m 34s main
April 8, 2024 00:18 1m 34s
never count metal atoms' electron
CI #239: Commit 2a8fa2c pushed by Benzoin96485
April 7, 2024 23:44 1m 39s main
April 7, 2024 23:44 1m 39s
fix HIS flip bug
CI #238: Commit 75c4dd1 pushed by Benzoin96485
April 7, 2024 18:06 1m 40s main
April 7, 2024 18:06 1m 40s
CI
CI #237: Scheduled
April 7, 2024 00:01 1m 32s main
April 7, 2024 00:01 1m 32s
Update charge_count.py
CI #236: Commit 679ed45 pushed by davidkastner
April 5, 2024 20:01 1m 54s main
April 5, 2024 20:01 1m 54s
CI
CI #235: Scheduled
March 31, 2024 00:01 1m 40s main
March 31, 2024 00:01 1m 40s
March 28, 2024 21:06 2m 13s
Generalize the job manager to the new format
CI #233: Pull request #47 opened by davidkastner
March 28, 2024 21:06 2m 15s generalize-job-manager
March 28, 2024 21:06 2m 15s
generalize clusters to small molecule centers
CI #232: Commit fef7439 pushed by Benzoin96485
March 28, 2024 18:49 1m 56s main
March 28, 2024 18:49 1m 56s
Merge pull request #46 from davidkastner/input-file
CI #231: Commit 6c2eab3 pushed by davidkastner
March 28, 2024 02:51 2m 29s main
March 28, 2024 02:51 2m 29s
Standardized the master list
CI #230: Pull request #46 opened by davidkastner
March 28, 2024 02:51 1m 37s input-file
March 28, 2024 02:51 1m 37s
Merge pull request #45 from davidkastner/yaml-based
CI #229: Commit ff62ccc pushed by davidkastner
March 27, 2024 21:32 3m 28s main
March 27, 2024 21:32 3m 28s