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Fix solutes with v-sites (#76) Publish Documentation #98: Commit ede08ca pushed by SimonBoothroyd
November 25, 2024 12:42 2m 13s 1.0.3
1.0.3
November 25, 2024 12:42 2m 13s
Fix solutes with v-sites (#76) Publish Documentation #97: Commit ede08ca pushed by SimonBoothroyd
November 24, 2024 10:54 2m 21s main
main
November 24, 2024 10:54 2m 21s
Add SCM git archival (#75) Publish Documentation #96: Commit 697a106 pushed by SimonBoothroyd
October 31, 2024 01:12 2m 38s 1.0.2
1.0.2
October 31, 2024 01:12 2m 38s
Add SCM git archival (#75) Publish Documentation #95: Commit 697a106 pushed by SimonBoothroyd
October 31, 2024 01:11 2m 27s main
main
October 31, 2024 01:11 2m 27s
Add option to parallelize running each phase (#74) Publish Documentation #94: Commit b91d4f5 pushed by SimonBoothroyd
October 31, 2024 01:02 2m 39s main
main
October 31, 2024 01:02 2m 39s
Respect mapped SMILES (#73) Publish Documentation #93: Commit ea5a04e pushed by SimonBoothroyd
October 27, 2024 20:45 2m 32s 1.0.1
1.0.1
October 27, 2024 20:45 2m 32s
Respect mapped SMILES (#73) Publish Documentation #92: Commit ea5a04e pushed by SimonBoothroyd
October 27, 2024 20:44 2m 28s main
main
October 27, 2024 20:44 2m 28s
Update template (#72) Publish Documentation #91: Commit 719c3dd pushed by SimonBoothroyd
October 20, 2024 13:44 2m 30s main
main
October 20, 2024 13:44 2m 30s
Add regression test analysis (#69) Publish Documentation #90: Commit 7cdd5c8 pushed by SimonBoothroyd
January 16, 2024 13:15 2m 54s 1.0.0
1.0.0
January 16, 2024 13:15 2m 54s
Add regression test analysis (#69) Publish Documentation #89: Commit 7cdd5c8 pushed by SimonBoothroyd
January 16, 2024 13:01 3m 0s main
main
January 16, 2024 13:01 3m 0s
Fix typos in README (#68) Publish Documentation #88: Commit ff1c8ba pushed by SimonBoothroyd
January 15, 2024 17:03 2m 51s main
main
January 15, 2024 17:03 2m 51s
Fix usage link Publish Documentation #87: Commit 8d38cad pushed by SimonBoothroyd
January 15, 2024 17:02 2m 54s main
main
January 15, 2024 17:02 2m 54s
Refactor to begin aligning with femto (#67) Publish Documentation #86: Commit 095c1ab pushed by SimonBoothroyd
January 15, 2024 16:51 2m 58s main
main
January 15, 2024 16:51 2m 58s