Match Partial charge 60
Commits >
Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f >
Run foss-serial-min: [foss2022a-serial] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.999000000000000e+00 | 3.999000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 61)