Match Partial charge 2
Commits >
Commit fa579c158b779976d5f0fa5d04f6d011c21f022f >
Run spack_foss-2023b_serial >
Input 17-scfinlcao_alt.01-gs.inp
| Value | Reference | Precision | Status |
| 9.460000000000000e-01 | 9.460000000000000e-01 | 4.730000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)