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Generalize symmetry mapping for repeat ligands. PyPi Release #117: Commit 8036513 pushed by mgt16-LANL
July 29, 2023 21:53 55s Secondary_Solvation_Shell
Secondary_Solvation_Shell
July 29, 2023 21:53 55s
Reduce symmetries if identical ligands used. PyPi Release #116: Commit 19c3dfe pushed by mgt16-LANL
July 28, 2023 19:14 54s Secondary_Solvation_Shell
Secondary_Solvation_Shell
July 28, 2023 19:14 54s
Remove text from tutorial output. PyPi Release #115: Commit 6be3658 pushed by mgt16-LANL
July 24, 2023 23:13 53s Secondary_Solvation_Shell
Secondary_Solvation_Shell
July 24, 2023 23:13 53s
Add secondary species tutorial. PyPi Release #114: Commit 898c8eb pushed by mgt16-LANL
July 24, 2023 23:12 53s Secondary_Solvation_Shell
Secondary_Solvation_Shell
July 24, 2023 23:12 53s
Add molecule-species grid scaling to allow closer molecules. PyPi Release #113: Commit a0df583 pushed by mgt16-LANL
July 21, 2023 16:47 54s Secondary_Solvation_Shell
Secondary_Solvation_Shell
July 21, 2023 16:47 54s
Fix actinde secondary shell species handling bug. PyPi Release #112: Commit 841a3a0 pushed by mgt16-LANL
July 21, 2023 16:14 53s Secondary_Solvation_Shell
Secondary_Solvation_Shell
July 21, 2023 16:14 53s
Add crest sampling documentation notebook.. PyPi Release #111: Commit d79e85a pushed by mgt16-LANL
July 19, 2023 19:40 51s Secondary_Solvation_Shell
Secondary_Solvation_Shell
July 19, 2023 19:40 51s
Update readme. PyPi Release #110: Commit 2a68d8c pushed by mgt16-LANL
July 19, 2023 18:21 58s Secondary_Solvation_Shell
Secondary_Solvation_Shell
July 19, 2023 18:21 58s
Actinides disclaimer. PyPi Release #109: Commit b170894 pushed by mgt16-LANL
July 15, 2023 20:15 57s Secondary_Solvation_Shell
Secondary_Solvation_Shell
July 15, 2023 20:15 57s
Secondary Shell spin/charge tracking. Update naming. PyPi Release #108: Commit 34b5e3c pushed by mgt16-LANL
July 15, 2023 19:02 47s Secondary_Solvation_Shell
Secondary_Solvation_Shell
July 15, 2023 19:02 47s
Force new rotations for each iteration of molecule. PyPi Release #107: Commit b8776c0 pushed by mgt16-LANL
July 13, 2023 17:43 54s Secondary_Solvation_Shell
Secondary_Solvation_Shell
July 13, 2023 17:43 54s
Merge pull request #22 from lanl/Oxo_handling PyPi Release #106: Commit 466bf75 pushed by mgt16-LANL
July 12, 2023 23:21 56s main
main
July 12, 2023 23:21 56s
Merge pull request #22 from lanl/Oxo_handling Python package #62: Commit 466bf75 pushed by mgt16-LANL
July 12, 2023 23:21 4m 36s main
main
July 12, 2023 23:21 4m 36s
Merge pull request #22 from lanl/Oxo_handling Pip check #56: Commit 466bf75 pushed by mgt16-LANL
July 12, 2023 23:21 1m 53s main
main
July 12, 2023 23:21 1m 53s
Oxo handling PyPi Release #105: Pull request #22 opened by mgt16-LANL
July 12, 2023 23:15 55s Oxo_handling
Oxo_handling
July 12, 2023 23:15 55s
Oxo handling Pip check #55: Pull request #22 opened by mgt16-LANL
July 12, 2023 23:15 2m 12s Oxo_handling
Oxo_handling
July 12, 2023 23:15 2m 12s
Oxo handling Python package #61: Pull request #22 opened by mgt16-LANL
July 12, 2023 23:15 4m 53s Oxo_handling
Oxo_handling
July 12, 2023 23:15 4m 53s