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Add error message to 'for inmask' when no topology is present (#1116)
Cpptraj Tests #486: Commit 2aac8b3 pushed by drroe
November 27, 2024 23:14 24m 58s master
November 27, 2024 23:14 24m 58s
Add error message to 'for inmask' when no topology is present (#1116)
CodeQL #259: Commit 2aac8b3 pushed by drroe
November 27, 2024 23:14 28m 9s master
November 27, 2024 23:14 28m 9s
Add error message to 'for inmask' when no topology is present
Cpptraj Tests #485: Pull request #1116 opened by drroe
November 27, 2024 21:30 25m 57s drroe:fix.for.inmask
November 27, 2024 21:30 25m 57s
Add error message to 'for inmask' when no topology is present
CodeQL #258: Pull request #1116 opened by drroe
November 27, 2024 21:30 25m 29s drroe:fix.for.inmask
November 27, 2024 21:30 25m 29s
CodeQL
CodeQL #257: Scheduled
November 27, 2024 13:41 29m 4s master
November 27, 2024 13:41 29m 4s
CodeQL
CodeQL #256: Scheduled
November 20, 2024 13:39 26m 35s master
November 20, 2024 13:39 26m 35s
CodeQL
CodeQL #255: Scheduled
November 13, 2024 13:36 29m 22s master
November 13, 2024 13:36 29m 22s
Allow atommap rmsfit to proceed with partial atom maps
CodeQL #254: Pull request #1114 opened by drroe
November 7, 2024 18:43 25m 11s drroe:atommap.changenames2
November 7, 2024 18:43 25m 11s
Allow atommap rmsfit to proceed with partial atom maps
Cpptraj Tests #484: Pull request #1114 opened by drroe
November 7, 2024 18:43 25m 2s drroe:atommap.changenames2
November 7, 2024 18:43 25m 2s
CodeQL
CodeQL #253: Scheduled
November 6, 2024 13:36 26m 22s master
November 6, 2024 13:36 26m 22s
Fix parallel handling of data in repeated trajectory runs for 'rotate…
Cpptraj Tests #483: Commit 65a2fbe pushed by drroe
November 5, 2024 15:57 24m 52s master
November 5, 2024 15:57 24m 52s
Fix parallel handling of data in repeated trajectory runs for 'rotate…
CodeQL #252: Commit 65a2fbe pushed by drroe
November 5, 2024 15:57 28m 55s master
November 5, 2024 15:57 28m 55s
CodeQL
CodeQL #250: Scheduled
October 30, 2024 13:38 26m 31s master
October 30, 2024 13:38 26m 31s
Fix handling of generated rotation matrix sets in parallel with the '…
Cpptraj Tests #481: Commit b41f221 pushed by drroe
October 29, 2024 22:22 24m 46s master
October 29, 2024 22:22 24m 46s
Fix handling of generated rotation matrix sets in parallel with the '…
CodeQL #249: Commit b41f221 pushed by drroe
October 29, 2024 22:22 28m 52s master
October 29, 2024 22:22 28m 52s
CodeQL
CodeQL #247: Scheduled
October 23, 2024 13:37 28m 27s master
October 23, 2024 13:37 28m 27s
Improve atom mapping between chiral centers (#1111)
CodeQL #246: Commit cdf7e30 pushed by drroe
October 22, 2024 15:16 28m 21s master
October 22, 2024 15:16 28m 21s
Improve atom mapping between chiral centers (#1111)
Cpptraj Tests #479: Commit cdf7e30 pushed by drroe
October 22, 2024 15:16 25m 31s master
October 22, 2024 15:16 25m 31s
Improve atom mapping between chiral centers
CodeQL #245: Pull request #1111 opened by drroe
October 22, 2024 13:58 25m 56s drroe:atommap.chiral
October 22, 2024 13:58 25m 56s
Improve atom mapping between chiral centers
Cpptraj Tests #478: Pull request #1111 opened by drroe
October 22, 2024 13:58 25m 24s drroe:atommap.chiral
October 22, 2024 13:58 25m 24s
Add energy decomposition (with PME) (#1109)
Cpptraj Tests #477: Commit addb723 pushed by drroe
October 18, 2024 20:07 25m 1s master
October 18, 2024 20:07 25m 1s