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Use OOP forcefields
CI #871: Pull request #267 synchronize by a-ws-m
August 29, 2023 15:22 1m 41s a-ws-m:ff-switching
August 29, 2023 15:22 1m 41s
CI
CI #870: Scheduled
August 28, 2023 05:58 12m 51s develop
August 28, 2023 05:58 12m 51s
HydrogenBondAnalysis, and automation (linked to issue #197)
CI #869: Pull request #225 synchronize by orbeckst
August 25, 2023 22:01 14m 30s HydrogenBondAnalysis
August 25, 2023 22:01 14m 30s
initial dihedrals
Lint #7: Pull request #268 synchronize by orbeckst
August 25, 2023 21:49 19s initial_dihedral
August 25, 2023 21:49 19s
initial dihedrals
CI #868: Pull request #268 synchronize by orbeckst
August 25, 2023 21:49 11m 14s initial_dihedral
August 25, 2023 21:49 11m 14s
Merge pull request #269 from a-ws-m/black-formatting
CI #867: Commit 6449879 pushed by orbeckst
August 25, 2023 21:46 12m 51s develop
August 25, 2023 21:46 12m 51s
Merge pull request #269 from a-ws-m/black-formatting
Lint #5: Commit 6449879 pushed by orbeckst
August 25, 2023 21:46 18s develop
August 25, 2023 21:46 18s
Black formatting
Lint #4: Pull request #269 synchronize by orbeckst
August 25, 2023 21:27 22s a-ws-m:black-formatting
August 25, 2023 21:27 22s
Black formatting
CI #866: Pull request #269 synchronize by orbeckst
August 25, 2023 21:27 5m 18s a-ws-m:black-formatting
August 25, 2023 21:27 5m 18s
Black formatting
CI #865: Pull request #269 synchronize by a-ws-m
August 23, 2023 13:36 11m 44s a-ws-m:black-formatting
August 23, 2023 13:36 11m 44s
Black formatting
Lint #3: Pull request #269 synchronize by a-ws-m
August 23, 2023 13:36 22s a-ws-m:black-formatting
August 23, 2023 13:36 22s
Black formatting
CI #863: Pull request #269 synchronize by a-ws-m
August 22, 2023 15:30 12m 46s a-ws-m:black-formatting
August 22, 2023 15:30 12m 46s
Black formatting
Lint #1: Pull request #269 synchronize by a-ws-m
August 22, 2023 15:30 27s a-ws-m:black-formatting
August 22, 2023 15:30 27s
Use OOP forcefields
CI #859: Pull request #267 synchronize by a-ws-m
August 21, 2023 13:10 10m 48s a-ws-m:ff-switching
August 21, 2023 13:10 10m 48s
Black formatting
CI #858: Pull request #269 opened by a-ws-m
August 21, 2023 13:07 10m 5s a-ws-m:black-formatting
August 21, 2023 13:07 10m 5s
CI
CI #857: Scheduled
August 21, 2023 05:58 11m 39s develop
August 21, 2023 05:58 11m 39s
initial dihedrals
CI #856: Pull request #268 opened by cadeduckworth
August 19, 2023 07:15 13m 42s initial_dihedral
August 19, 2023 07:15 13m 42s
Use OOP forcefields
CI #855: Pull request #267 opened by a-ws-m
August 18, 2023 18:26 14m 10s a-ws-m:ff-switching
August 18, 2023 18:26 14m 10s
small simplification of guess_elements()
CI #854: Commit 3971e5d pushed by orbeckst
August 14, 2023 22:56 11m 43s develop
August 14, 2023 22:56 11m 43s
CI
CI #853: Scheduled
August 14, 2023 05:58 10m 52s develop
August 14, 2023 05:58 10m 52s
guess_elements() function (#264)
CI #852: Commit b8842a1 pushed by orbeckst
August 12, 2023 10:24 10m 6s develop
August 12, 2023 10:24 10m 6s
initialize guess_atoms function PR
CI #851: Pull request #264 synchronize by orbeckst
August 12, 2023 10:08 11m 40s guess-atoms
August 12, 2023 10:08 11m 40s