Match Partial charge 2
Commits >
Commit c18e6529b073b7f96582e125ea28d09e3ac5067c >
Run spack_foss-2023a_mpi_debug >
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)