Match Partial charge 3
Commits >
Commit 8f782d5cf55620fdc67b764848371cb8de44e683 >
Run spack_foss-2023a_mpi_min >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
7.023000000000000e+00 | 7.023000000000001e+00 | 3.510000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)