Actions: grimme-lab/xtb
Actions
Showing runs from all workflows
912 workflow runs
912 workflow runs
bench.xyz/1707_0569xWATER.xyz can not be optimized with GFN-FF
Close Stale
#701:
Issue #1286
labeled
by
thfroitzheim
deriv_atm_triple subroutine (#1298)
CI
#1986:
Commit dabf307
pushed
by
thfroitzheim
deriv_atm_triple subroutine
CI
#1984:
Pull request #1298
synchronize
by
thfroitzheim
deriv_atm_triple subroutine
CI
#1979:
Pull request #1298
synchronize
by
foxtran
deriv_atm_triple subroutine
CI
#1978:
Pull request #1298
opened
by
foxtran