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Close Stale Close Stale #853: Scheduled
10s main
main
10s
SIGSEGV in Klopman-Ohno Coulomb gradient (klopmanohno.f90) for large systems (>400 atoms) after successful SCF convergence Close Stale #852: Issue #1412 labeled by chselz
12s
12s
Avoid setup-fortran bootstrap failures in intel-ifx CMake CI job CI #2261: Pull request #1439 synchronize by Copilot AI
Action required copilot/fix-intel-ifx-cmake-build
copilot/fix-intel-ifx-cmake-build
Action required
ci: avoid setup-fortran in intel ifx cmake job CI #2260: Commit 516d535 pushed by Copilot AI
Action required copilot/fix-intel-ifx-cmake-build
copilot/fix-intel-ifx-cmake-build
Action required
Avoid setup-fortran bootstrap failures in intel-ifx CMake CI job CI #2259: Pull request #1439 opened by Copilot AI
Action required copilot/fix-intel-ifx-cmake-build
copilot/fix-intel-ifx-cmake-build
Action required
Running Copilot cloud agent Copilot cloud agent #1: by Copilot AI
5m 25s copilot/fix-intel-ifx-cmake-build
copilot/fix-intel-ifx-cmake-build
5m 25s
Update tblite dependency to v0.7.0 CI #2258: Pull request #1433 synchronize by robin-dahl
8m 37s thfroitzheim:update-tblite
thfroitzheim:update-tblite
8m 37s
Close Stale Close Stale #851: Scheduled
10s main
main
10s
Control GFN-FF printing with verbosity setting CI #2257: Pull request #1438 synchronize by TyBalduf
13m 13s TyBalduf:fix/issue-252-gfnff-api-verbosity
TyBalduf:fix/issue-252-gfnff-api-verbosity
13m 13s
Control GFN-FF printing with verbosity setting CI #2256: Pull request #1438 opened by TyBalduf
8m 37s TyBalduf:fix/issue-252-gfnff-api-verbosity
TyBalduf:fix/issue-252-gfnff-api-verbosity
8m 37s
Allow GFN-FF selection from xcontrol CI #2255: Pull request #1437 opened by TyBalduf
8m 59s TyBalduf:gfnff_xcontrol
TyBalduf:gfnff_xcontrol
8m 59s
Ensure a restart file is written after convergence failure CI #2254: Pull request #1436 synchronize by TyBalduf
14m 28s TyBalduf:fix/issue-1146-restart-validation
TyBalduf:fix/issue-1146-restart-validation
14m 28s
Ensure a restart file is written after convergence failure CI #2253: Pull request #1436 synchronize by TyBalduf
11m 14s TyBalduf:fix/issue-1146-restart-validation
TyBalduf:fix/issue-1146-restart-validation
11m 14s
Ensure a restart file is written after convergence failure CI #2252: Pull request #1436 opened by TyBalduf
8m 58s TyBalduf:fix/issue-1146-restart-validation
TyBalduf:fix/issue-1146-restart-validation
8m 58s
Hessian Rot/Trans Projection after Mass-weighting CI #2251: Pull request #1435 synchronize by chselz
8m 34s chselz:fix_issue_693
chselz:fix_issue_693
8m 34s
Hessian Rot/Trans Projection after Mass-weighting CI #2250: Pull request #1435 opened by chselz
7m 42s chselz:fix_issue_693
chselz:fix_issue_693
7m 42s
Fix file descriptor leak CI #2249: Pull request #1434 opened by TyBalduf
8m 29s TyBalduf:fix/issue-1388-c-api-output-fd-leak
TyBalduf:fix/issue-1388-c-api-output-fd-leak
8m 29s
Preserve atoms in fragmented GFN-FF Hessians CI #2248: Pull request #1432 synchronize by TyBalduf
10m 36s TyBalduf:fix/issue-1286-fragmented-hessian
TyBalduf:fix/issue-1286-fragmented-hessian
10m 36s
Close Stale Close Stale #850: Scheduled
10s main
main
10s
Update tblite dependency to v0.7.0 CI #2247: Pull request #1433 opened by thfroitzheim
11m 23s thfroitzheim:update-tblite
thfroitzheim:update-tblite
11m 23s
Fix L-ANC with fragmented Hessians and fixed atoms (#1429) CI #2246: Commit a45f05d pushed by thfroitzheim
9m 17s main
main
9m 17s
Running Copilot Code Review Copilot #4: by Copilot AI
4m 36s main
main
4m 36s
Validate MD restart files (#1431) CI #2245: Commit e4e01db pushed by thfroitzheim
17m 24s main
main
17m 24s
Avoid large GFN-FF OMP stack allocations (#1428) CI #2244: Commit 77e505c pushed by thfroitzheim
18m 55s main
main
18m 55s
Remove molecular rotation before numerical Hessian (#1426) CI #2243: Commit 02289da pushed by thfroitzheim
24m 34s main
main
24m 34s