Match Partial charge 3
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run intel-serial: [intel2023a-serial] >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
7.023000000000000e+00 | 7.023000000000001e+00 | 3.510000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)