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Updated naming schemes for input and jobscript files Pytest #56: Pull request #198 synchronize by ralf-meyer
March 5, 2024 16:49 12m 54s input-jobscript-naming
input-jobscript-naming
March 5, 2024 16:49 12m 54s
Merge pull request #204 from hjkgrp/geo_free_RACs Pytest #55: Commit 35714b8 pushed by ralf-meyer
March 3, 2024 22:25 12m 35s master
master
March 3, 2024 22:25 12m 35s
Geo free RACs Pytest #54: Pull request #204 opened by ralf-meyer
February 26, 2024 22:09 12m 56s geo_free_RACs
geo_free_RACs
February 26, 2024 22:09 12m 56s
Merge pull request #192 from hjkgrp/additional_tests Pytest #53: Commit 292cc44 pushed by ralf-meyer
February 26, 2024 21:39 12m 59s master
master
February 26, 2024 21:39 12m 59s
Additional tests Pytest #52: Pull request #192 synchronize by ralf-meyer
February 26, 2024 21:26 12m 38s additional_tests
additional_tests
February 26, 2024 21:26 12m 38s
Merge pull request #169 from hjkgrp/type-hinting Pytest #51: Commit 9481fd8 pushed by ralf-meyer
February 26, 2024 21:11 12m 53s master
master
February 26, 2024 21:11 12m 53s
Merge pull request #203 from hjkgrp/more_ligand_fixes Pytest #50: Commit 21b7db1 pushed by ralf-meyer
February 20, 2024 02:40 12m 11s master
master
February 20, 2024 02:40 12m 11s
Improve documentation of the test case Pytest #49: Pull request #203 synchronize by ralf-meyer
February 20, 2024 02:27 12m 25s more_ligand_fixes
more_ligand_fixes
February 20, 2024 02:27 12m 25s
Merge pull request #202 from hjkgrp/rmsd Pytest #48: Commit 56ab21b pushed by ralf-meyer
February 20, 2024 02:20 12m 30s master
master
February 20, 2024 02:20 12m 30s
Add minimal example for issue 127 Pytest #47: Pull request #202 opened by ralf-meyer
February 20, 2024 02:15 12m 32s rmsd
rmsd
February 20, 2024 02:15 12m 32s
Updated get_geometry Pytest #46: Pull request #200 synchronize by ralf-meyer
February 18, 2024 19:09 12m 41s get_geometry_edits
get_geometry_edits
February 18, 2024 19:09 12m 41s
Updated get_geometry Pytest #45: Pull request #200 synchronize by ralf-meyer
February 18, 2024 18:53 12m 25s get_geometry_edits
get_geometry_edits
February 18, 2024 18:53 12m 25s
Updated get_geometry Pytest #44: Pull request #200 synchronize by ralf-meyer
February 17, 2024 22:04 12m 28s get_geometry_edits
get_geometry_edits
February 17, 2024 22:04 12m 28s
Update rungen.py Pytest #43: Pull request #184 synchronize by ralf-meyer
February 17, 2024 20:30 12m 23s rolan701:master
rolan701:master
February 17, 2024 20:30 12m 23s
Updated get_geometry Pytest #42: Pull request #200 synchronize by ralf-meyer
February 16, 2024 19:39 12m 31s get_geometry_edits
get_geometry_edits
February 16, 2024 19:39 12m 31s
Merge pull request #201 from hjkgrp/mol3D_from_smiles Pytest #41: Commit e5a4d04 pushed by ralf-meyer
February 13, 2024 02:30 12m 23s master
master
February 13, 2024 02:30 12m 23s
mol3D from smiles Pytest #40: Pull request #201 opened by ralf-meyer
February 13, 2024 01:47 12m 21s mol3D_from_smiles
mol3D_from_smiles
February 13, 2024 01:47 12m 21s
Update fragment_MOFs_for_pormake.py Pytest #39: Commit 5ad401e pushed by gianmarco-terrones
February 10, 2024 21:54 12m 18s master
master
February 10, 2024 21:54 12m 18s
Updated get_geometry Pytest #38: Pull request #200 opened by jwtoney
February 6, 2024 22:13 12m 36s get_geometry_edits
get_geometry_edits
February 6, 2024 22:13 12m 36s
Merge pull request #199 from hjkgrp/pre-commit-ci-update-config Pytest #37: Commit e96d424 pushed by ralf-meyer
February 5, 2024 21:29 12m 27s master
master
February 5, 2024 21:29 12m 27s
Updated naming schemes for input and jobscript files Pytest #36: Pull request #198 synchronize by dbkchu
February 5, 2024 21:19 11m 28s input-jobscript-naming
input-jobscript-naming
February 5, 2024 21:19 11m 28s
Updated naming schemes for input and jobscript files Pytest #35: Pull request #198 synchronize by dbkchu
February 5, 2024 21:18 11m 41s input-jobscript-naming
input-jobscript-naming
February 5, 2024 21:18 11m 41s
[pre-commit.ci] pre-commit autoupdate Pytest #34: Pull request #199 opened by pre-commit-ci bot
February 5, 2024 21:14 12m 59s pre-commit-ci-update-config
pre-commit-ci-update-config
February 5, 2024 21:14 12m 59s
Updated naming schemes for input and jobscript files Pytest #33: Pull request #198 synchronize by dbkchu
February 5, 2024 21:11 10m 10s input-jobscript-naming
input-jobscript-naming
February 5, 2024 21:11 10m 10s
Merge pull request #197 from hjkgrp/jwt_edits Pytest #32: Commit 9e42836 pushed by ralf-meyer
February 5, 2024 21:07 13m 4s master
master
February 5, 2024 21:07 13m 4s