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Update LICENSE to exclude training of AI using the source code ci #327: Commit ddf92ff pushed by leeping
May 15, 2024 14:02 15m 22s master
master
May 15, 2024 14:02 15m 22s
Fix an error in abinitio.py's documentation ci #326: Commit 190e5dd pushed by leeping
April 26, 2024 00:21 15m 17s master
master
April 26, 2024 00:21 15m 17s
Permit fits with virtual sites ci #325: Pull request #292 synchronize by mattwthompson
January 18, 2024 20:29 23m 38s mattwthompson:virtual-sites
mattwthompson:virtual-sites
January 18, 2024 20:29 23m 38s
Do not use numpy.asfarray which is removed in 2.0 ci #324: Pull request #295 opened by mattwthompson
January 18, 2024 19:06 10m 28s mattwthompson:numpy-2.0
mattwthompson:numpy-2.0
January 18, 2024 19:06 10m 28s
Use double-precision GROMACS builds from conda-forge ci #323: Pull request #294 synchronize by mattwthompson
December 5, 2023 21:57 4m 58s mattwthompson:double-precisions-gromacs
mattwthompson:double-precisions-gromacs
December 5, 2023 21:57 4m 58s
Use double-precision GROMACS builds from conda-forge ci #322: Pull request #294 synchronize by mattwthompson
December 5, 2023 21:47 4m 53s mattwthompson:double-precisions-gromacs
mattwthompson:double-precisions-gromacs
December 5, 2023 21:47 4m 53s
Use double-precision GROMACS builds from conda-forge ci #321: Pull request #294 opened by mattwthompson
December 5, 2023 21:28 8m 5s mattwthompson:double-precisions-gromacs
mattwthompson:double-precisions-gromacs
December 5, 2023 21:28 8m 5s
Permit fits with virtual sites ci #320: Pull request #292 synchronize by mattwthompson
December 5, 2023 18:44 31m 15s mattwthompson:virtual-sites
mattwthompson:virtual-sites
December 5, 2023 18:44 31m 15s
Trim un-used dependencies ci #319: Pull request #293 opened by mattwthompson
December 5, 2023 17:13 19m 40s mattwthompson:trim-dependencies
mattwthompson:trim-dependencies
December 5, 2023 17:13 19m 40s
Permit fits with virtual sites ci #318: Pull request #292 opened by mattwthompson
October 13, 2023 21:08 43m 23s mattwthompson:virtual-sites
mattwthompson:virtual-sites
October 13, 2023 21:08 43m 23s
Replace &> run.log with > run.log 2>&1 (dash compatible) ci #317: Commit b395fd4 pushed by leeping
September 30, 2023 23:07 39m 40s master
master
September 30, 2023 23:07 39m 40s
Update version number to 1.9.6 ci #316: Commit c0821f4 pushed by leeping
September 27, 2023 15:51 45m 5s master
master
September 27, 2023 15:51 45m 5s
Merge pull request #291 from leeping/v196-final-fixes ci #315: Commit 20768b1 pushed by leeping
September 27, 2023 00:50 44m 19s master
master
September 27, 2023 00:50 44m 19s
V196 final fixes ci #314: Pull request #291 opened by leeping
September 26, 2023 22:24 45m 55s v196-final-fixes
v196-final-fixes
September 26, 2023 22:24 45m 55s
Bump actions/checkout from 3 to 4 ci #313: Pull request #287 synchronize by dependabot bot
September 26, 2023 21:28 49m 55s dependabot/github_actions/actions/checkout-4
dependabot/github_actions/actions/checkout-4
September 26, 2023 21:28 49m 55s
Merge pull request #290 from leeping/v196-final-fixes ci #312: Commit 348b718 pushed by leeping
September 26, 2023 21:27 44m 12s master
master
September 26, 2023 21:27 44m 12s
Final fixes prior to v1.9.6 release ci #311: Pull request #290 synchronize by leeping
September 26, 2023 19:36 45m 25s v196-final-fixes
v196-final-fixes
September 26, 2023 19:36 45m 25s
Final fixes prior to v1.9.6 release ci #310: Pull request #290 synchronize by leeping
September 26, 2023 18:52 45m 30s v196-final-fixes
v196-final-fixes
September 26, 2023 18:52 45m 30s
Final fixes prior to v1.9.6 release ci #309: Pull request #290 synchronize by leeping
September 26, 2023 18:25 26m 38s v196-final-fixes
v196-final-fixes
September 26, 2023 18:25 26m 38s
Final fixes prior to v1.9.6 release ci #308: Pull request #290 synchronize by leeping
September 26, 2023 18:09 14m 23s v196-final-fixes
v196-final-fixes
September 26, 2023 18:09 14m 23s
Final fixes prior to v1.9.6 release ci #307: Pull request #290 synchronize by leeping
September 26, 2023 01:18 45m 38s v196-final-fixes
v196-final-fixes
September 26, 2023 01:18 45m 38s
Final fixes prior to v1.9.6 release ci #306: Pull request #290 synchronize by leeping
September 25, 2023 22:00 41m 41s v196-final-fixes
v196-final-fixes
September 25, 2023 22:00 41m 41s
Final fixes prior to v1.9.6 release ci #305: Pull request #290 opened by leeping
September 25, 2023 20:01 40m 35s v196-final-fixes
v196-final-fixes
September 25, 2023 20:01 40m 35s
Bump codecov/codecov-action from 3 to 4 ci #304: Pull request #289 opened by dependabot bot
September 15, 2023 00:42 40m 15s dependabot/github_actions/codecov/codecov-action-4
dependabot/github_actions/codecov/codecov-action-4
September 15, 2023 00:42 40m 15s
Smirnoff Interaction energy ci #303: Pull request #288 opened by jthorton
September 6, 2023 13:52 40m 37s jthorton:interaction_energy
jthorton:interaction_energy
September 6, 2023 13:52 40m 37s