Match Partial charge 60
Commits >
Commit e20977157e4d251b72bb22e6c23e92a645445263 >
Run foss-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, 61)