Match Partial charge 4
Commits >
Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 >
Run spack_foss-2022a_mpi >
Input 17-scfinlcao_alt.01-gs.inp
| Value | Reference | Precision | Status |
| 7.024000000000000e+00 | 7.024000000000000e+00 | 3.510000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)