Match Partial charge 5
Commits >
Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 >
Run spack_foss-2022a_mpi_min >
Input 16-scfinlcao_std.01-gs.inp
| Value | Reference | Precision | Status |
| 7.032000000000000e+00 | 7.032000000000000e+00 | 3.520000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)