Match Partial charge 5
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run foss-serial-min: [foss2022a-serial] >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
7.031000000000000e+00 | 7.032000000000000e+00 | 3.520000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)