Match Partial charge 35
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run intel-2022a_omp >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
4.000000000000000e+00 | 4.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 36)