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Bumped version to 0.6.4. Updated CHANGELOG. Tests #134: Commit ea087f4 pushed by coltonbh
October 2, 2024 00:44 27s master
master
October 2, 2024 00:44 27s
Tests Tests #133: by coltonbh
October 2, 2024 00:44 27s 0.6.4
0.6.4
October 2, 2024 00:44 27s
Merge pull request #19 from coltonbh/feature-expand-crest Tests #132: Commit 54b6755 pushed by coltonbh
October 2, 2024 00:43 28s master
master
October 2, 2024 00:43 28s
Added encoders and parsers for CREST to support energy, gradient, hes… Tests #131: Commit 07bad33 pushed by coltonbh
October 2, 2024 00:43 32s feature-expand-crest
feature-expand-crest
October 2, 2024 00:43 32s
Added encoders and parsers for CREST to support energy, gradient, hes… Tests #130: Commit ec788d0 pushed by coltonbh
October 2, 2024 00:41 34s feature-expand-crest
feature-expand-crest
October 2, 2024 00:41 34s
Added encoders and parsers for CREST to support energy, gradient, hes… Tests #129: Commit 6d8066e pushed by coltonbh
October 1, 2024 20:11 33s feature-expand-crest
feature-expand-crest
October 1, 2024 20:11 33s
Bumped version to 0.6.3. Updated CHANGELOG. Tests #128: Commit e123ca9 pushed by coltonbh
September 13, 2024 00:09 27s master
master
September 13, 2024 00:09 27s
Tests Tests #127: by coltonbh
September 13, 2024 00:09 30s 0.6.3
0.6.3
September 13, 2024 00:09 30s
Merge pull request #18 from coltonbh/feature-terachem-optimizations Tests #126: Commit 314394b pushed by coltonbh
September 13, 2024 00:09 28s master
master
September 13, 2024 00:09 28s
Added encoding and parsing for TeraChem optimization calculations. Tests #125: Commit b26e0a4 pushed by coltonbh
September 13, 2024 00:08 31s feature-terachem-optimizations
feature-terachem-optimizations
September 13, 2024 00:08 31s
Added encoding and parsing for TeraChem optimization calculations. Tests #124: Commit d242641 pushed by coltonbh
September 13, 2024 00:05 35s feature-terachem-optimizations
feature-terachem-optimizations
September 13, 2024 00:05 35s
Added encoding and parsing for TeraChem optimization calculations. Tests #123: Commit 1b261df pushed by coltonbh
September 13, 2024 00:03 30s feature-terachem-optimizations
feature-terachem-optimizations
September 13, 2024 00:03 30s
Added encoding and parsing for TeraChem optimization calculations. Tests #122: Commit 9d324a6 pushed by coltonbh
September 12, 2024 23:58 28s feature-terachem-optimizations
feature-terachem-optimizations
September 12, 2024 23:58 28s
Added encoding and parsing for TeraChem optimization calculations. Tests #121: Commit a4c11fc pushed by coltonbh
September 12, 2024 23:57 26s feature-terachem-optimizations
feature-terachem-optimizations
September 12, 2024 23:57 26s
Added encoding and parsing for TeraChem optimization calculations. Tests #120: Commit e67285e pushed by coltonbh
September 12, 2024 23:48 35s feature-terachem-optimizations
feature-terachem-optimizations
September 12, 2024 23:48 35s
Added encoding and parsing for TeraChem optimization calculations. Tests #119: Commit 1d79ecf pushed by coltonbh
September 12, 2024 23:46 30s feature-terachem-optimizations
feature-terachem-optimizations
September 12, 2024 23:46 30s
Added OptimizationResults parsing for TeraChem. Tests #118: Commit 198fcd6 pushed by coltonbh
September 12, 2024 02:13 27s feature-terachem-optimizations
feature-terachem-optimizations
September 12, 2024 02:13 27s
Bumped version to 0.6.2. Updated CHANGELOG. Tests #117: Commit ff80a44 pushed by coltonbh
August 13, 2024 22:53 28s master
master
August 13, 2024 22:53 28s
Tests Tests #116: by coltonbh
August 13, 2024 22:53 27s 0.6.2
0.6.2
August 13, 2024 22:53 27s
Merge pull request #17 from coltonbh/feature-crest-encoder Tests #115: Commit 5f2e4d0 pushed by coltonbh
August 13, 2024 22:52 32s master
master
August 13, 2024 22:52 32s
Added CREST encode and parser for conformer search directory parsing. Tests #114: Commit e2c7b64 pushed by coltonbh
August 13, 2024 22:51 35s feature-crest-encoder
feature-crest-encoder
August 13, 2024 22:51 35s
Added CREST encode and parser for conformer search directory parsing. Tests #113: Commit 89925f9 pushed by coltonbh
August 13, 2024 22:49 35s feature-crest-encoder
feature-crest-encoder
August 13, 2024 22:49 35s
Added CREST encode and parser for conformer search directory parsing. Tests #112: Commit 9300ac2 pushed by coltonbh
August 13, 2024 22:46 29s feature-crest-encoder
feature-crest-encoder
August 13, 2024 22:46 29s
Added CREST encode and parser for conformer search directory parsing. Tests #111: Commit 6d3789f pushed by coltonbh
August 13, 2024 04:32 20s feature-crest-encoder
feature-crest-encoder
August 13, 2024 04:32 20s
Bumped version to 0.6.1. Updated CHANGELOG. Tests #110: Commit 498fa72 pushed by coltonbh
August 9, 2024 02:27 27s master
master
August 9, 2024 02:27 27s