Match Partial charge 2
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Run intel-2022a_omp_impi >
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)