Match Partial charge 3
Commits >
Commit c7ac96946c926bee5c46ca4221093c1f60753f5a >
Run spack_foss-2022a_ppc >
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)