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Close Stale Close Stale #859: Scheduled
11s main
main
11s
Constraints Depend on Atom Order Close Stale #858: Issue #1445 labeled by hagenmuenkler
11s
11s
Fix file descriptor leak (#1434) CI #2276: Commit 5fb5a1c pushed by thfroitzheim
11m 1s main
main
11m 1s
Fix copying of TMolecule (#1292) CI #2275: Commit 45680bc pushed by thfroitzheim
9m 19s main
main
9m 19s
ptb: make tmp2s allocatable, fix stack overflow in mmlpopanalysis (#1… CI #2274: Commit 3dadb68 pushed by thfroitzheim
10m 59s main
main
10m 59s
Fix copying of TMolecule CI #2273: Pull request #1292 synchronize by thfroitzheim
14m 49s foxtran:fix/copy
foxtran:fix/copy
14m 49s
Running Copilot Code Review Copilot #5: by Copilot AI
4m 31s main
main
4m 31s
Ensure a restart file is written after convergence failure (#1436) CI #2272: Commit 2010ace pushed by thfroitzheim
17m 27s main
main
17m 27s
Ensure a restart file is written after convergence failure CI #2271: Pull request #1436 synchronize by TyBalduf
10m 44s TyBalduf:fix/issue-1146-restart-validation
TyBalduf:fix/issue-1146-restart-validation
10m 44s
Close Stale Close Stale #857: Scheduled
12s main
main
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ptb: make tmp2s allocatable, fix stack overflow in mmlpopanalysis CI #2270: Pull request #1444 opened by sreekanth221998
13m 37s lamalab-org:fix-ptb-tmp2s-stack-overflow-upstream
lamalab-org:fix-ptb-tmp2s-stack-overflow-upstream
13m 37s
Allow GFN-FF selection from xcontrol (#1437) CI #2269: Commit f7b16e3 pushed by thfroitzheim
18m 51s main
main
18m 51s
Control GFN-FF printing with verbosity setting (#1438) CI #2268: Commit b4f50f7 pushed by thfroitzheim
16m 7s main
main
16m 7s
Implementation of O1NumHess algorithm and model Hessian refactor (#1381) CI #2267: Commit 4615b37 pushed by thfroitzheim
12m 50s main
main
12m 50s
Implementation of O1NumHess algorithm and model Hessian refactor CI #2266: Pull request #1381 synchronize by lmseidler
9m 10s lmseidler:o1numhess
lmseidler:o1numhess
9m 10s
Implementation of O1NumHess algorithm and model Hessian refactor CI #2265: Pull request #1381 synchronize by lmseidler
10m 31s lmseidler:o1numhess
lmseidler:o1numhess
10m 31s
Add temporary Windows CI for ddX PR 184 ddX PR 184 Windows test #1: Commit 329b393 pushed by robin-dahl
1m 2s test-ddx-pr184
test-ddx-pr184
1m 2s
Add temporary Windows CI for ddX PR 184 CI #2264: Commit 329b393 pushed by robin-dahl
2m 5s test-ddx-pr184
test-ddx-pr184
2m 5s
Close Stale Close Stale #856: Scheduled
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main
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--ptb --hess --raman segfaults for larger molecules: stack-allocated tmp2s in mmlpopanalysis.F90 Close Stale #855: Issue #1442 labeled by sreekanth221998
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Fix uninitialized optimizer status for single-atom systems (gfortran bug) CI #2262: Pull request #1441 opened by mcbennet
11m 26s mcbennet:issue_1440
mcbennet:issue_1440
11m 26s
Single-atom geometry optimization fails with gfortran Close Stale #854: Issue #1440 labeled by mcbennet
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13s
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
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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