Match Partial charge 20
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run intel-2022a_omp >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.998000000000000e+00 | 3.998000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 21)