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Merge pull request #38 from molssi-seamm/dev CodeQL #63: Commit 1d54509 pushed by seamm
March 9, 2025 17:52 1m 15s main
main
March 9, 2025 17:52 1m 15s
Optimization and thermochemistry enhancements CodeQL #62: Pull request #38 opened by paulsaxe
March 9, 2025 17:49 1m 24s dev
dev
March 9, 2025 17:49 1m 24s
Merge pull request #37 from molssi-seamm/dev CodeQL #61: Commit 9514e0b pushed by seamm
December 7, 2024 15:43 1m 24s main
main
December 7, 2024 15:43 1m 24s
Minor update due to changes in molsystem CodeQL #60: Pull request #37 opened by paulsaxe
December 7, 2024 15:39 1m 20s dev
dev
December 7, 2024 15:39 1m 20s
Merge pull request #36 from molssi-seamm/dev CodeQL #59: Commit 425f60e pushed by seamm
October 15, 2024 21:04 2m 17s main
main
October 15, 2024 21:04 2m 17s
Bugfix: error if used in a loop and previous directories deleted. CodeQL #58: Pull request #36 opened by paulsaxe
October 15, 2024 21:01 2m 13s dev
dev
October 15, 2024 21:01 2m 13s
Merge pull request #35 from molssi-seamm/dev CodeQL #57: Commit b65c17d pushed by paulsaxe
October 5, 2024 13:36 2m 4s main
main
October 5, 2024 13:36 2m 4s
Enhancements and bug fixes for thermochemistry CodeQL #56: Pull request #35 opened by paulsaxe
October 5, 2024 13:21 1m 49s dev
dev
October 5, 2024 13:21 1m 49s
Merge pull request #34 from molssi-seamm/dev CodeQL #55: Commit 248a997 pushed by seamm
July 30, 2024 15:23 2m 25s main
main
July 30, 2024 15:23 2m 25s
Enhanced results and fixed problem with psi4.ini CodeQL #54: Pull request #34 synchronize by paulsaxe
July 30, 2024 15:19 2m 26s dev
dev
July 30, 2024 15:19 2m 26s
Enhanced results and fixed problem with psi4.ini CodeQL #53: Pull request #34 opened by paulsaxe
July 30, 2024 15:17 2m 38s dev
dev
July 30, 2024 15:17 2m 38s
Merge pull request #33 from molssi-seamm/dev CodeQL #52: Commit e14e74e pushed by paulsaxe
May 23, 2024 23:00 2m 20s main
main
May 23, 2024 23:00 2m 20s
Added auxialliary codes that help Psi4 CodeQL #51: Pull request #33 opened by paulsaxe
May 23, 2024 23:00 2m 21s dev
dev
May 23, 2024 23:00 2m 21s
Merge pull request #32 from molssi-seamm/dev CodeQL #50: Commit 333376e pushed by seamm
May 23, 2024 18:20 2m 33s main
main
May 23, 2024 18:20 2m 33s
Bugfix: incorrect name for gradients CodeQL #49: Pull request #32 opened by paulsaxe
May 23, 2024 18:17 2m 19s dev
dev
May 23, 2024 18:17 2m 19s
Merge pull request #31 from molssi-seamm/dev CodeQL #48: Commit f0de46f pushed by paulsaxe
May 23, 2024 14:53 2m 23s main
main
May 23, 2024 14:53 2m 23s
Internal fix for creating Docker image. CodeQL #47: Pull request #31 opened by paulsaxe
May 23, 2024 14:53 2m 24s dev
dev
May 23, 2024 14:53 2m 24s
Merge pull request #30 from molssi-seamm/dev CodeQL #46: Commit 17b9439 pushed by seamm
May 23, 2024 14:29 2m 25s main
main
May 23, 2024 14:29 2m 25s
Added standard energy and gradients to results CodeQL #45: Pull request #30 synchronize by paulsaxe
May 23, 2024 14:25 2m 17s dev
dev
May 23, 2024 14:25 2m 17s
Added standard energy and gradients to results CodeQL #44: Pull request #30 opened by paulsaxe
May 23, 2024 14:22 2m 24s dev
dev
May 23, 2024 14:22 2m 24s
Added standard energy and gradients to results CodeQL #43: Commit 5b7f4b2 pushed by paulsaxe
May 23, 2024 14:17 2m 23s main
main
May 23, 2024 14:17 2m 23s