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added ciprofloxacin test to test accidental skipping of dihedral terms Test code #42: Commit 1354209 pushed by stefdoerr
January 4, 2024 13:32 4m 39s 0.2.3
0.2.3
January 4, 2024 13:32 4m 39s
added ciprofloxacin test to test accidental skipping of dihedral terms Test code #41: Commit 1354209 pushed by stefdoerr
January 4, 2024 13:31 4m 23s master
master
January 4, 2024 13:31 4m 23s
fix bug where we were skipping non-duplicate dihedrals Test code #40: Commit a611a1a pushed by stefdoerr
January 4, 2024 13:17 4m 29s master
master
January 4, 2024 13:17 4m 29s
safety checks for ffevaluate dimensions Test code #39: Commit 08313b6 pushed by stefdoerr
January 3, 2024 10:38 4m 28s master
master
January 3, 2024 10:38 4m 28s
deprecate python 3.7 Test code #38: Commit 085d823 pushed by stefdoerr
October 23, 2023 20:33 6m 0s master
master
October 23, 2023 20:33 6m 0s
no formatted printing Test code #37: Commit 838a7b6 pushed by stefdoerr
October 23, 2023 20:21 7m 14s 0.2.2
0.2.2
October 23, 2023 20:21 7m 14s
no formatted printing Test code #36: Commit 838a7b6 pushed by stefdoerr
October 23, 2023 20:20 58s master
master
October 23, 2023 20:20 58s
fix package paths Test code #35: Commit 30fa306 pushed by stefdoerr
October 23, 2023 20:16 4m 50s master
master
October 23, 2023 20:16 4m 50s
boa Test code #34: Commit e83f342 pushed by stefdoerr
October 23, 2023 20:10 5m 59s master
master
October 23, 2023 20:10 5m 59s
use conda-forge Test code #33: Commit f234655 pushed by stefdoerr
October 23, 2023 20:08 3m 3s master
master
October 23, 2023 20:08 3m 3s
reduce deps and make code forward compatible with new numba versions Test code #32: Commit 1647080 pushed by stefdoerr
October 23, 2023 20:02 19m 5s 0.2.1
0.2.1
October 23, 2023 20:02 19m 5s
reduce deps and make code forward compatible with new numba versions Test code #31: Commit 1647080 pushed by stefdoerr
October 23, 2023 20:02 25s master
master
October 23, 2023 20:02 25s