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Merge pull request #37 from molssi-seamm/dev CodeQL #34: Commit d558d84 pushed by seamm
June 30, 2024 19:29 2m 27s main
main
June 30, 2024 19:29 2m 27s
Bug: error submitting jobs with local forcefield files. CodeQL #33: Pull request #37 opened by paulsaxe
June 30, 2024 19:19 2m 17s dev
dev
June 30, 2024 19:19 2m 17s
Merge pull request #36 from molssi-seamm/dev CodeQL #32: Commit 5b2eaa9 pushed by seamm
June 29, 2024 21:21 2m 21s main
main
June 29, 2024 21:21 2m 21s
Bugfix: factor of 2 for dihedrals and impropers in ligpargen CodeQL #31: Pull request #36 synchronize by paulsaxe
June 29, 2024 21:19 2m 33s dev
dev
June 29, 2024 21:19 2m 33s
Bugfix: factor of 2 for dihedrals and impropers in ligpargen CodeQL #30: Pull request #36 opened by paulsaxe
June 29, 2024 21:18 2m 22s dev
dev
June 29, 2024 21:18 2m 22s
Merge pull request #35 from molssi-seamm/dev CodeQL #29: Commit d1598eb pushed by seamm
June 29, 2024 14:12 2m 18s main
main
June 29, 2024 14:12 2m 18s
Added customizable local forcefields and LigParGen interface. CodeQL #28: Pull request #35 synchronize by paulsaxe
June 28, 2024 20:15 2m 27s dev
dev
June 28, 2024 20:15 2m 27s
Added customizable local forcefields and LigParGen interface. CodeQL #27: Pull request #35 synchronize by paulsaxe
June 28, 2024 20:09 2m 16s dev
dev
June 28, 2024 20:09 2m 16s
Added customizable local forcefields and LigParGen interface. CodeQL #26: Pull request #35 synchronize by paulsaxe
June 28, 2024 20:04 2m 20s dev
dev
June 28, 2024 20:04 2m 20s
Merge pull request #34 from paulsaxe/main CodeQL #25: Commit cc4573f pushed by paulsaxe
January 10, 2024 15:51 8m 48s main
main
January 10, 2024 15:51 8m 48s
Fixed bug in PF6- angle parameters CodeQL #24: Pull request #34 opened by paulsaxe
January 10, 2024 15:49 8m 10s paulsaxe:main
paulsaxe:main
January 10, 2024 15:49 8m 10s
Merge pull request #33 from molssi-seamm/dev CodeQL #23: Commit 7cc8892 pushed by seamm
September 14, 2023 18:17 14m 10s main
main
September 14, 2023 18:17 14m 10s
Fixed bugs and added parameters for imidazolium cations CodeQL #22: Pull request #33 opened by paulsaxe
September 14, 2023 18:13 4m 36s dev
dev
September 14, 2023 18:13 4m 36s
Merge pull request #32 from molssi-seamm/dev CodeQL #21: Commit fcb9ebb pushed by seamm
September 13, 2023 22:09 14m 56s main
main
September 13, 2023 22:09 14m 56s
Added parameters for TFSI - bis[(trifluoromethyl)sulfonyl]imide to CL&P ff CodeQL #20: Pull request #32 opened by paulsaxe
September 13, 2023 21:58 13m 22s dev
dev
September 13, 2023 21:58 13m 22s
Merge pull request #31 from molssi-seamm/dev CodeQL #19: Commit fd3bb18 pushed by seamm
September 8, 2023 18:02 17m 3s main
main
September 8, 2023 18:02 17m 3s
Implementing atom typing for OPLSAA that were overlooked CodeQL #18: Pull request #31 opened by paulsaxe
September 8, 2023 17:38 15m 1s dev
dev
September 8, 2023 17:38 15m 1s
Merge pull request #30 from molssi-seamm/dev CodeQL #17: Commit 4b5d5f4 pushed by paulsaxe
September 7, 2023 20:03 14m 50s main
main
September 7, 2023 20:03 14m 50s
Added typing for fluorobenzene to OPLS-AA CodeQL #16: Pull request #30 synchronize by paulsaxe
September 7, 2023 20:02 13m 35s dev
dev
September 7, 2023 20:02 13m 35s
Added typing for fluorobenzene to OPLS-AA CodeQL #15: Pull request #30 opened by paulsaxe
September 7, 2023 19:17 16m 14s dev
dev
September 7, 2023 19:17 16m 14s
Merge pull request #29 from molssi-seamm/dev CodeQL #14: Commit a374aaf pushed by seamm
September 7, 2023 00:22 18m 20s main
main
September 7, 2023 00:22 18m 20s
Fixed F-P-F angle repulsion in OPLSAA+ CodeQL #13: Pull request #29 opened by paulsaxe
September 7, 2023 00:15 14m 4s dev
dev
September 7, 2023 00:15 14m 4s
Merge pull request #28 from molssi-seamm/dev CodeQL #12: Commit 064487a pushed by seamm
August 28, 2023 09:53 13m 47s main
main
August 28, 2023 09:53 13m 47s
Fixed problem in OPLSAA CL&P forcefield with octahedral PF6- CodeQL #11: Pull request #28 opened by paulsaxe
August 27, 2023 18:54 9m 41s dev
dev
August 27, 2023 18:54 9m 41s