Match Partial charge 2
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run eb_fosscuda-2022a >
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)