Match Partial charge 55
Commits >
Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 >
Run intel-2022a >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
4.001000000000000e+00 | 4.001000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 56)