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Fixed bug in setting up packmol.ini. BranchCI #48: Commit 28e3801 pushed by paulsaxe
July 25, 2024 16:12 1m 32s dev
dev
July 25, 2024 16:12 1m 32s
Fixed bug in setting up packmol.ini. BranchCI #47: Commit 3ad39e0 pushed by paulsaxe
July 25, 2024 16:10 1m 27s dev
dev
July 25, 2024 16:10 1m 27s
Bugfix: bonding incorrect in some cases. BranchCI #46: Commit 5423af6 pushed by paulsaxe
June 29, 2024 14:26 1m 34s dev
dev
June 29, 2024 14:26 1m 34s
Typo in Dockerfile BranchCI #45: Commit 606881c pushed by paulsaxe
June 21, 2024 15:01 1m 46s dev
dev
June 21, 2024 15:01 1m 46s
Fixing issue making the Docker image in the release. BranchCI #44: Commit 54acd76 pushed by paulsaxe
June 21, 2024 14:36 1m 43s dev
dev
June 21, 2024 14:36 1m 43s
And dependency on seamm-installer BranchCI #43: Commit aae55df pushed by paulsaxe
June 21, 2024 13:29 1m 40s dev
dev
June 21, 2024 13:29 1m 40s
merge BranchCI #42: Commit 708451e pushed by paulsaxe
June 21, 2024 13:25 1m 29s dev
dev
June 21, 2024 13:25 1m 29s
Merge branch 'main' into dev BranchCI #41: Commit ba38ceb pushed by paulsaxe
June 21, 2024 13:18 1m 27s dev
dev
June 21, 2024 13:18 1m 27s
Switching to RDKit for SMILES since OpenBabel has some issues and is … BranchCI #40: Commit 7cdeb02 pushed by paulsaxe
June 21, 2024 13:17 1m 13s dev
dev
June 21, 2024 13:17 1m 13s
Switching to RDKit for SMILES since OpenBabel has some issues and is … BranchCI #39: Commit e0d7b4e pushed by paulsaxe
June 21, 2024 13:16 1m 9s dev
dev
June 21, 2024 13:16 1m 9s
Fixed issue with Packmol not available for Linux/arm-64 BranchCI #38: Commit c81bbb9 pushed by seamm
March 20, 2024 14:14 1m 44s seamm-patch-1
seamm-patch-1
March 20, 2024 14:14 1m 44s
Fixed problem with Conda build BranchCI #37: Commit 3fbc558 pushed by paulsaxe
March 20, 2024 13:42 1m 42s paulsaxe-patch-1
paulsaxe-patch-1
March 20, 2024 13:42 1m 42s
Added ability to run in containers. BranchCI #36: Commit 9048433 pushed by paulsaxe
January 16, 2024 11:26 1m 38s dev
dev
January 16, 2024 11:26 1m 38s
Switching periodic systems to fractional coordinates. BranchCI #35: Commit f7b3be2 pushed by paulsaxe
September 6, 2023 16:34 7m 5s dev
dev
September 6, 2023 16:34 7m 5s
Merge pull request #27 from molssi-seamm/dev BranchCI #34: Commit d30d645 pushed by paulsaxe
August 9, 2023 14:15 11m 2s dev
dev
August 9, 2023 14:15 11m 2s