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Periodic boundary conditions not working for water dynamics Close Stale #780: Issue #1118 labeled by chselz
15s
15s
Running MD considering periodic boundary conditions in xTB Close Stale #779: Issue #1320 labeled by chselz
16s
16s
Close Stale Close Stale #778: Scheduled
16s main
main
16s
Add static windows compile to workflow and continuous delivery CI #2080: Pull request #1354 synchronize by thfroitzheim
14m 53s thfroitzheim:static-windows-ci
thfroitzheim:static-windows-ci
14m 53s
Add static windows compile to workflow and continuous delivery CI #2079: Pull request #1354 synchronize by thfroitzheim
11m 46s thfroitzheim:static-windows-ci
thfroitzheim:static-windows-ci
11m 46s
Add static windows compile to workflow and continuous delivery CI #2078: Pull request #1354 synchronize by thfroitzheim
17m 4s thfroitzheim:static-windows-ci
thfroitzheim:static-windows-ci
17m 4s
Implement parallelization for hydrogen bond list setup in gfnff_hbset and gfnff_hbset0 CI #2077: Pull request #1362 synchronize by foxtran
8m 31s foxtran:fix/hbset
foxtran:fix/hbset
8m 31s
Update batmgfnff_eg subroutine (#1363) CI #2076: Commit b8197ce pushed by thfroitzheim
9m 8s main
main
9m 8s
Update batmgfnff_eg subroutine CI #2075: Pull request #1363 synchronize by foxtran
17m 12s foxtran:update/batmgfnff_eg
foxtran:update/batmgfnff_eg
17m 12s
Update batmgfnff_eg subroutine CI #2074: Pull request #1363 synchronize by foxtran
11m 45s foxtran:update/batmgfnff_eg
foxtran:update/batmgfnff_eg
11m 45s
Update batmgfnff_eg subroutine CI #2073: Pull request #1363 synchronize by foxtran
9m 6s foxtran:update/batmgfnff_eg
foxtran:update/batmgfnff_eg
9m 6s
Copilot code review Copilot code review #3: by Copilot AI
3m 47s refs/pull/1362/head
refs/pull/1362/head
3m 47s
Copilot code review Copilot code review #2: by Copilot AI
2m 16s refs/pull/1363/head
refs/pull/1363/head
2m 16s
Fix OpenMP memory leak and segfault in fragment Hessian diagonalization CI #2072: Pull request #1366 synchronize by DanielWicz
10m 47s DanielWicz:dco-03a93c4b-upstream
DanielWicz:dco-03a93c4b-upstream
10m 47s
Fix OpenMP memory leak and segfault in fragment Hessian diagonalization CI #2071: Pull request #1366 synchronize by DanielWicz
10m 10s DanielWicz:dco-03a93c4b-upstream
DanielWicz:dco-03a93c4b-upstream
10m 10s
Add in-source Tracy profiler CI #2070: Pull request #1284 synchronize by foxtran
11m 26s foxtran:feature/tracy
foxtran:feature/tracy
11m 26s
Add in-source Tracy profiler CI #2069: Pull request #1284 synchronize by foxtran
5m 55s foxtran:feature/tracy
foxtran:feature/tracy
5m 55s
Fix OpenMP memory leak and segfault in fragment Hessian diagonalization CI #2068: Pull request #1366 opened by DanielWicz
10m 19s DanielWicz:dco-03a93c4b-upstream
DanielWicz:dco-03a93c4b-upstream
10m 19s
Fix OpenMP memory leak and segfault in fragment Hessian diagonalization CI #2067: Pull request #1365 opened by DanielWicz
10m 26s DanielWicz:dco-03a93c4b
DanielWicz:dco-03a93c4b
10m 26s
Check all frequencies in detrotra CI #2066: Pull request #1205 synchronize by foxtran
11m 22s foxtran:fix/1203
foxtran:fix/1203
11m 22s
fix issue 1280 CI #2065: Pull request #1364 opened by chselz
4m 12s chselz:fix_issue_1280
chselz:fix_issue_1280
4m 12s
Close Stale Close Stale #777: Scheduled
15s main
main
15s
Update batmgfnff_eg subroutine CI #2064: Pull request #1363 opened by foxtran
7m 52s foxtran:update/batmgfnff_eg
foxtran:update/batmgfnff_eg
7m 52s
Failing Geometry optimization with fixed atoms using the GFN-FF Close Stale #776: Issue #800 labeled by chselz
1m 41s
1m 41s
Implement parallelization for hydrogen bond list setup in gfnff_hbset and gfnff_hbset0 CI #2063: Pull request #1362 synchronize by foxtran
10m 12s foxtran:fix/hbset
foxtran:fix/hbset
10m 12s