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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
Merge pull request #29 from paulsaxe/main CodeQL #42: Commit 6198055 pushed by seamm
March 17, 2024 21:17 2m 25s main
main
March 17, 2024 21:17 2m 25s
Updated for new install process, supporting Conda and Docker CodeQL #41: Pull request #29 opened by paulsaxe
March 17, 2024 21:12 2m 22s main
main
March 17, 2024 21:12 2m 22s
Merge pull request #28 from paulsaxe/main CodeQL #40: Commit 7483779 pushed by seamm
March 4, 2024 18:24 1m 50s main
main
March 4, 2024 18:24 1m 50s
Allowing short names for method and DFT functionals CodeQL #39: Pull request #28 opened by paulsaxe
March 4, 2024 18:19 2m 6s main
main
March 4, 2024 18:19 2m 6s
Pinning Docker images to linux/amd64 since Psi4 in Conda is not avail… CodeQL #36: Commit a5ec371 pushed by paulsaxe
February 29, 2024 19:58 1m 56s main
main
February 29, 2024 19:58 1m 56s
Trying to use only linux-64 Conda CodeQL #35: Commit c7b8794 pushed by paulsaxe
February 27, 2024 18:29 2m 56s main
main
February 27, 2024 18:29 2m 56s
Merge pull request #27 from paulsaxe/main CodeQL #34: Commit b2f811c pushed by paulsaxe
February 27, 2024 17:34 2m 30s main
main
February 27, 2024 17:34 2m 30s
Working on limiting Docker images to using linux-64 Conda installs CodeQL #33: Pull request #27 synchronize by paulsaxe
February 27, 2024 16:12 1m 56s main
main
February 27, 2024 16:12 1m 56s
Working on limiting Docker images to using linux-64 Conda installs CodeQL #32: Pull request #27 opened by paulsaxe
February 27, 2024 16:09 2m 21s main
main
February 27, 2024 16:09 2m 21s
Merge pull request #26 from paulsaxe/main CodeQL #31: Commit 6aa6ed6 pushed by paulsaxe
February 26, 2024 21:37 2m 11s main
main
February 26, 2024 21:37 2m 11s
Adding Docker build and release, plus code to use it. CodeQL #30: Pull request #26 synchronize by paulsaxe
February 26, 2024 21:32 2m 19s main
main
February 26, 2024 21:32 2m 19s
Adding Docker build and release, plus code to use it. CodeQL #29: Pull request #26 synchronize by paulsaxe
February 26, 2024 21:23 2m 20s main
main
February 26, 2024 21:23 2m 20s