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Added supported_calctypes to the documentation for Adapters. Basic Code Quality #220: Commit 42ca3b5 pushed by coltonbh
October 3, 2024 00:46 43s master
master
October 3, 2024 00:46 43s
Bumped version to 0.9.2. Updated CHANGELOG. Basic Code Quality #219: Commit c6625fe pushed by coltonbh
October 2, 2024 00:49 36s master
master
October 2, 2024 00:49 36s
Basic Code Quality Basic Code Quality #218: by coltonbh
October 2, 2024 00:49 36s 0.9.2
0.9.2
October 2, 2024 00:49 36s
Merge pull request #49 from coltonbh/feature-crest-nci Basic Code Quality #217: Commit 9470d7f pushed by coltonbh
October 2, 2024 00:48 37s master
master
October 2, 2024 00:48 37s
Added energy, gradient, hessian, and optimization calculations to CRE… Basic Code Quality #216: Commit 0f6ddb0 pushed by coltonbh
October 2, 2024 00:47 46s feature-crest-nci
feature-crest-nci
October 2, 2024 00:47 46s
Initial cli hacking to get basic commands working. Basic Code Quality #215: Commit 7a81654 pushed by coltonbh
September 30, 2024 22:38 26s feature-cli
feature-cli
September 30, 2024 22:38 26s
Bumped version to 0.9.1. Updated CHANGELOG. Basic Code Quality #214: Commit f27fe0b pushed by coltonbh
September 13, 2024 00:21 1m 33s master
master
September 13, 2024 00:21 1m 33s
Basic Code Quality Basic Code Quality #213: by coltonbh
September 13, 2024 00:21 42s 0.9.1
0.9.1
September 13, 2024 00:21 42s
Merge pull request #47 from coltonbh/feature-terachem-opt Basic Code Quality #212: Commit ba03c4a pushed by coltonbh
September 13, 2024 00:21 33s master
master
September 13, 2024 00:21 33s
Added CalcType.optimization support for TeraChem. Basic Code Quality #211: Commit e80955c pushed by coltonbh
September 13, 2024 00:14 3m 15s feature-terachem-opt
feature-terachem-opt
September 13, 2024 00:14 3m 15s
Bumped version to 0.9.0. Updated CHANGELOG. Basic Code Quality #210: Commit 0d31101 pushed by coltonbh
September 11, 2024 23:45 39s master
master
September 11, 2024 23:45 39s
Basic Code Quality Basic Code Quality #209: by coltonbh
September 11, 2024 23:45 41s 0.9.0
0.9.0
September 11, 2024 23:45 41s
Merge pull request #46 from coltonbh/feature-python3.9-update-devops-… Basic Code Quality #208: Commit 5451721 pushed by coltonbh
September 11, 2024 23:44 37s master
master
September 11, 2024 23:44 37s
Updated typing syntax to python 3.9. Removed black and isort in favor… Basic Code Quality #207: Commit 977cd00 pushed by coltonbh
September 11, 2024 23:42 37s feature-python3.9-update-devops-update
feature-python3.9-update-devops-update
September 11, 2024 23:42 37s
Merge pull request #45 from coltonbh/feature-tcpb Basic Code Quality #206: Commit 3eab501 pushed by coltonbh
September 11, 2024 23:18 34s master
master
September 11, 2024 23:18 34s
Added TeraChem Protocol Buffer Server mode support. Updated minimum p… Basic Code Quality #205: Commit 0204f10 pushed by coltonbh
September 11, 2024 23:17 34s feature-tcpb
feature-tcpb
September 11, 2024 23:17 34s
Added TeraChem Protocol Buffer Server mode support. Basic Code Quality #204: Commit 14b82af pushed by coltonbh
September 11, 2024 23:15 20s feature-tcpb
feature-tcpb
September 11, 2024 23:15 20s
Bumped version to 0.8.1. Updated CHANGELOG. Basic Code Quality #203: Commit 503bb54 pushed by coltonbh
August 13, 2024 23:07 51s master
master
August 13, 2024 23:07 51s
Basic Code Quality Basic Code Quality #202: by coltonbh
August 13, 2024 23:07 38s 0.8.1
0.8.1
August 13, 2024 23:07 38s
Merge pull request #43 from coltonbh/feature-crest Basic Code Quality #201: Commit 1837c1f pushed by coltonbh
August 13, 2024 23:07 39s master
master
August 13, 2024 23:07 39s
Added CRESTAdapter for CalcType.conformer_search. Created basic docum… Basic Code Quality #200: Commit 6ace41b pushed by coltonbh
August 13, 2024 23:05 39s feature-crest
feature-crest
August 13, 2024 23:05 39s
Added CRESTAdapter for CalcType.conformer_search. Created basic docum… Basic Code Quality #199: Commit 5dbcb40 pushed by coltonbh
August 13, 2024 22:57 45s feature-crest
feature-crest
August 13, 2024 22:57 45s
Working CREST examples. Basic Code Quality #198: Commit 461db51 pushed by coltonbh
August 13, 2024 04:34 20s feature-crest
feature-crest
August 13, 2024 04:34 20s
Added basic documentation. Basic Code Quality #197: Commit ea216ee pushed by coltonbh
August 9, 2024 02:08 20s feature-crest
feature-crest
August 9, 2024 02:08 20s
Added basic documentation. Basic Code Quality #196: Commit 26b8ff2 pushed by coltonbh
August 9, 2024 01:55 23s feature-crest
feature-crest
August 9, 2024 01:55 23s