Match Partial charge 20
Commits >
Commit 77b19a812457519ffe2e63888ffe5f5b10958dc8 >
Run eb_fosscuda-2022a >
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)