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Ensure successful execution through CCS and NMR chemical shifts Continuous Integration / Deployment #186: Pull request #44 opened by smcolby
December 26, 2024 23:49 3m 53s bugfixes
bugfixes
December 26, 2024 23:49 3m 53s
Fix parsing logic for CREST runs Continuous Integration / Deployment #185: Commit b3bb053 pushed by smcolby
December 26, 2024 23:48 3m 32s bugfixes
bugfixes
December 26, 2024 23:48 3m 32s
Specify platform-specific build logic Continuous Integration / Deployment #184: Commit ed893d4 pushed by smcolby
December 19, 2024 19:39 37s v2.0.0-beta
v2.0.0-beta
December 19, 2024 19:39 37s
Add folded style for build args Continuous Integration / Deployment #182: Commit 5140898 pushed by smcolby
December 19, 2024 17:34 50s v2.0.0-beta
v2.0.0-beta
December 19, 2024 17:34 50s
Move build args to single line Continuous Integration / Deployment #175: Commit c85e4e4 pushed by smcolby
December 19, 2024 01:13 3m 53s master
master
December 19, 2024 01:13 3m 53s
Merge pull request #43 from pnnl/ci-fixes Continuous Integration / Deployment #171: Commit bfe68e7 pushed by smcolby
December 19, 2024 00:57 3m 55s master
master
December 19, 2024 00:57 3m 55s
Update continuous integration to use rattler-build Continuous Integration / Deployment #170: Pull request #43 opened by smcolby
December 19, 2024 00:56 3m 35s ci-fixes
ci-fixes
December 19, 2024 00:56 3m 35s
Migrate to rattler-build recipe/actions Continuous Integration / Deployment #168: Commit 5afdb3b pushed by smcolby
December 19, 2024 00:48 3m 34s ci-fixes
ci-fixes
December 19, 2024 00:48 3m 34s
Switch to miniforge3 Continuous Integration / Deployment #167: Commit f0c9d9c pushed by smcolby
December 18, 2024 22:23 8m 30s ci-fixes
ci-fixes
December 18, 2024 22:23 8m 30s
Install and switch usage to conda-index Continuous Integration / Deployment #166: Commit 89cabc4 pushed by jessbade
December 18, 2024 20:25 4m 46s ci-fixes
ci-fixes
December 18, 2024 20:25 4m 46s
Merge branch 'ci-fixes' Continuous Integration / Deployment #165: Commit ba9f129 pushed by smcolby
December 18, 2024 18:38 10m 38s v2.0.0-beta
v2.0.0-beta
December 18, 2024 18:38 10m 38s
Merge pull request #42 from pnnl/ci-fixes Continuous Integration / Deployment #162: Commit e235193 pushed by smcolby
December 18, 2024 17:59 4m 57s master
master
December 18, 2024 17:59 4m 57s
Update conda recipe and actions for continuous integration Continuous Integration / Deployment #161: Pull request #42 synchronize by smcolby
December 18, 2024 17:54 4m 2s ci-fixes
ci-fixes
December 18, 2024 17:54 4m 2s
Add package import test Continuous Integration / Deployment #160: Commit cf34f6d pushed by smcolby
December 18, 2024 17:54 4m 6s ci-fixes
ci-fixes
December 18, 2024 17:54 4m 6s
Update conda recipe and actions for continuous integration Continuous Integration / Deployment #159: Pull request #42 opened by smcolby
December 18, 2024 17:51 4m 4s ci-fixes
ci-fixes
December 18, 2024 17:51 4m 4s
Update regular expressions for python 3.12 compliance Continuous Integration / Deployment #158: Commit fe11a63 pushed by smcolby
December 18, 2024 17:48 4m 46s ci-fixes
ci-fixes
December 18, 2024 17:48 4m 46s
Merge pull request #41 from pnnl/develop Continuous Integration / Deployment #156: Commit d2f2cb9 pushed by smcolby
December 12, 2024 22:42 4m 55s master
master
December 12, 2024 22:42 4m 55s
Separate finish and parse functionality Continuous Integration / Deployment #155: Pull request #41 synchronize by smcolby
December 12, 2024 22:26 4m 12s develop
develop
December 12, 2024 22:26 4m 12s
Specify python minimum Continuous Integration / Deployment #154: Commit cc34dc8 pushed by smcolby
December 12, 2024 22:26 3m 57s develop
develop
December 12, 2024 22:26 3m 57s
Remove charge kwarg from load_xyz function calls Continuous Integration / Deployment #144: Commit f39c6c6 pushed by smcolby
October 18, 2024 21:52 4m 29s develop
develop
October 18, 2024 21:52 4m 29s
Add scaling factors get func to utils Continuous Integration / Deployment #143: Commit 541fffa pushed by jessbade
August 2, 2024 17:33 3m 57s scalingfactor
scalingfactor
August 2, 2024 17:33 3m 57s
Remove determine bonds step for XYZ Continuous Integration / Deployment #142: Commit 3d48677 pushed by smcolby
July 30, 2024 22:12 4m 4s develop
develop
July 30, 2024 22:12 4m 4s
Remove tinker from program selector Continuous Integration / Deployment #141: Commit 3d76540 pushed by smcolby
July 30, 2024 21:13 4m 13s develop
develop
July 30, 2024 21:13 4m 13s
Add parse module Continuous Integration / Deployment #140: Commit af284f2 pushed by smcolby
July 29, 2024 16:25 4m 20s develop
develop
July 29, 2024 16:25 4m 20s
Merge pull request #40 from pnnl/remove-openbabel Continuous Integration / Deployment #139: Commit e11efc5 pushed by smcolby
July 23, 2024 17:29 4m 54s develop
develop
July 23, 2024 17:29 4m 54s