Match Partial charge 4
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_foss-2023a_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)