Match Partial charge 4
Commits >
Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee >
Run spack_foss-2022a_serial_min >
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)