Match Partial charge 2
Commits >
Commit e20977157e4d251b72bb22e6c23e92a645445263 >
Run intel-2022b >
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)