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Merge pull request #36 from molssi-seamm/dev CI #129: Commit 425f60e pushed by seamm
October 15, 2024 21:04 3m 20s main
main
October 15, 2024 21:04 3m 20s
Bugfix: error if used in a loop and previous directories deleted. CI #128: Pull request #36 opened by paulsaxe
October 15, 2024 21:01 3m 19s dev
dev
October 15, 2024 21:01 3m 19s
Merge pull request #35 from molssi-seamm/dev CI #127: Commit b65c17d pushed by paulsaxe
October 5, 2024 13:36 3m 2s main
main
October 5, 2024 13:36 3m 2s
Enhancements and bug fixes for thermochemistry CI #126: Pull request #35 opened by paulsaxe
October 5, 2024 13:21 3m 16s dev
dev
October 5, 2024 13:21 3m 16s
Merge pull request #34 from molssi-seamm/dev CI #125: Commit 248a997 pushed by seamm
July 30, 2024 15:23 4m 6s main
main
July 30, 2024 15:23 4m 6s
Enhanced results and fixed problem with psi4.ini CI #124: Pull request #34 synchronize by paulsaxe
July 30, 2024 15:19 3m 8s dev
dev
July 30, 2024 15:19 3m 8s
Enhanced results and fixed problem with psi4.ini CI #123: Pull request #34 opened by paulsaxe
July 30, 2024 15:17 3m 5s dev
dev
July 30, 2024 15:17 3m 5s
Merge pull request #33 from molssi-seamm/dev CI #122: Commit e14e74e pushed by paulsaxe
May 23, 2024 23:00 2m 56s main
main
May 23, 2024 23:00 2m 56s
Added auxialliary codes that help Psi4 CI #121: Pull request #33 opened by paulsaxe
May 23, 2024 23:00 2m 58s dev
dev
May 23, 2024 23:00 2m 58s
Merge pull request #32 from molssi-seamm/dev CI #120: Commit 333376e pushed by seamm
May 23, 2024 18:20 3m 42s main
main
May 23, 2024 18:20 3m 42s
Bugfix: incorrect name for gradients CI #119: Pull request #32 opened by paulsaxe
May 23, 2024 18:17 2m 45s dev
dev
May 23, 2024 18:17 2m 45s
Merge pull request #31 from molssi-seamm/dev CI #118: Commit f0de46f pushed by paulsaxe
May 23, 2024 14:53 3m 14s main
main
May 23, 2024 14:53 3m 14s
Internal fix for creating Docker image. CI #117: Pull request #31 opened by paulsaxe
May 23, 2024 14:53 2m 54s dev
dev
May 23, 2024 14:53 2m 54s
Merge pull request #30 from molssi-seamm/dev CI #116: Commit 17b9439 pushed by seamm
May 23, 2024 14:29 2m 56s main
main
May 23, 2024 14:29 2m 56s
Added standard energy and gradients to results CI #115: Pull request #30 synchronize by paulsaxe
May 23, 2024 14:25 3m 10s dev
dev
May 23, 2024 14:25 3m 10s
Added standard energy and gradients to results CI #114: Pull request #30 opened by paulsaxe
May 23, 2024 14:22 2m 42s dev
dev
May 23, 2024 14:22 2m 42s
Added standard energy and gradients to results CI #113: Commit 5b7f4b2 pushed by paulsaxe
May 23, 2024 14:17 3m 13s main
main
May 23, 2024 14:17 3m 13s
Merge pull request #29 from paulsaxe/main CI #112: Commit 6198055 pushed by seamm
March 17, 2024 21:17 5m 57s main
main
March 17, 2024 21:17 5m 57s
Updated for new install process, supporting Conda and Docker CI #111: Pull request #29 opened by paulsaxe
March 17, 2024 21:12 4m 23s main
main
March 17, 2024 21:12 4m 23s
Merge pull request #28 from paulsaxe/main CI #110: Commit 7483779 pushed by seamm
March 4, 2024 18:24 5m 51s main
main
March 4, 2024 18:24 5m 51s
Allowing short names for method and DFT functionals CI #109: Pull request #28 opened by paulsaxe
March 4, 2024 18:19 5m 26s main
main
March 4, 2024 18:19 5m 26s
Pinning Docker images to linux/amd64 since Psi4 in Conda is not avail… CI #106: Commit a5ec371 pushed by paulsaxe
February 29, 2024 19:58 4m 52s main
main
February 29, 2024 19:58 4m 52s
Trying to use only linux-64 Conda CI #105: Commit c7b8794 pushed by paulsaxe
February 27, 2024 18:29 9m 17s main
main
February 27, 2024 18:29 9m 17s
Merge pull request #27 from paulsaxe/main CI #104: Commit b2f811c pushed by paulsaxe
February 27, 2024 17:34 6m 11s main
main
February 27, 2024 17:34 6m 11s
Working on limiting Docker images to using linux-64 Conda installs CI #103: Pull request #27 synchronize by paulsaxe
February 27, 2024 16:12 6m 39s main
main
February 27, 2024 16:12 6m 39s