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stale_label.yml
432 workflow runs
432 workflow runs

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--tblite ignores solvation (--alpb & --gbsa) Close Stale #32: Issue #1015 labeled by Albkat
April 19, 2024 11:27 2s
April 19, 2024 11:27 2s
--tblite ignores solvation (--alpb & --gbsa) Close Stale #31: Issue #1015 labeled by TimoSommer
April 19, 2024 08:43 2s
April 19, 2024 08:43 2s
compilation error on Intel/2020.0.166 Close Stale #30: Issue #1014 labeled by ajithperera
April 18, 2024 17:36 2s
April 18, 2024 17:36 2s
Keywords compatibility XTB & TBLITE Close Stale #29: Issue #1013 labeled by Viba97
April 17, 2024 15:49 2s
April 17, 2024 15:49 2s
xtb-6.7.0/src/gfnff/gfnff_eg.f90 compilation error Close Stale #28: Issue #1012 labeled by butterflycollector
April 17, 2024 09:21 3s
April 17, 2024 09:21 3s
Optimization Error for Ag Metal Complex Close Stale #27: Issue #1000 labeled by Albkat
April 16, 2024 07:41 3s
April 16, 2024 07:41 3s
Manual download of mctc-lib and skip git cloning Close Stale #26: Issue #1006 labeled by Albkat
April 15, 2024 10:43 15s
April 15, 2024 10:43 15s
Manual download of mctc-lib and skip git cloning Close Stale #25: Issue #1006 labeled by Albkat
April 15, 2024 07:33 2s
April 15, 2024 07:33 2s
forrtl: severe (174): SIGSEGV, segmentation fault occurred using molecular dynamics and GFN-FF Close Stale #24: Issue #1007 labeled by msgroi2
April 5, 2024 09:49 2s
April 5, 2024 09:49 2s
Manual download of mctc-lib and skip git cloning Close Stale #23: Issue #1006 labeled by 1234zou
April 4, 2024 14:36 3s
April 4, 2024 14:36 3s
Optimization Error for Ag Metal Complex Close Stale #22: Issue #1000 labeled by deveshawasthi10
March 22, 2024 01:28 2s
March 22, 2024 01:28 2s
Visibly different structure depending on OMP_NUM_THREADS Close Stale #21: Issue #999 labeled by TimoSommer
March 20, 2024 14:17 3s
March 20, 2024 14:17 3s
Error while trying to convert 2d structure to 3d using gfn-ff Close Stale #20: Issue #987 labeled by Gvein
March 8, 2024 20:51 5s
March 8, 2024 20:51 5s
Bug in gradient calculation Close Stale #19: Issue #986 labeled by hanimustafa
March 7, 2024 20:01 2s
March 7, 2024 20:01 2s
Spin Polarization - Spin Constants for Hydrogen using GFN1 Close Stale #18: Issue #968 labeled by Albkat
March 7, 2024 11:42 14s
March 7, 2024 11:42 14s
add json output for tblite Close Stale #17: Pull request #985 labeled by Albkat
March 7, 2024 09:00 3s Albkat:979-json-flag-ignored-with-tblite
Albkat:979-json-flag-ignored-with-tblite
March 7, 2024 09:00 3s
json flag ignored with tblite Close Stale #16: Issue #979 labeled by Albkat
March 7, 2024 08:57 3s
March 7, 2024 08:57 3s
test suite of a source build fails for 6.7.0 Close Stale #15: Issue #981 labeled by Albkat
March 6, 2024 08:08 3s
March 6, 2024 08:08 3s
test suite of a source build fails for 6.7.0 Close Stale #14: Issue #981 labeled by Albkat
March 6, 2024 08:07 2s
March 6, 2024 08:07 2s
Build xTB 6.7.0 failure when OpenMP disabled Close Stale #13: Issue #983 labeled by Albkat
March 6, 2024 07:53 3s
March 6, 2024 07:53 3s
Build xTB 6.7.0 failure when OpenMP disabled Close Stale #12: Issue #983 labeled by t0saki
March 6, 2024 05:48 2s
March 6, 2024 05:48 2s
refactor geometry optimization (part 2) Close Stale #11: Pull request #982 labeled by Albkat
March 5, 2024 10:11 2s Albkat:geometry_refactor
Albkat:geometry_refactor
March 5, 2024 10:11 2s
test suite of a source build fails for 6.7.0 Close Stale #10: Issue #981 labeled by sheepforce
March 5, 2024 09:52 4s
March 5, 2024 09:52 4s
json flag ignored with tblite Close Stale #9: Issue #979 labeled by TimoSommer
March 4, 2024 13:02 3s
March 4, 2024 13:02 3s
add identation to CI Close Stale #8: Pull request #978 labeled by Albkat
March 4, 2024 08:54 2s Albkat:CD
Albkat:CD
March 4, 2024 08:54 2s
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