Match Partial charge 30
Commits >
Commit f2f698c8a25f386898063905e7c5eb25847969e0 >
Run eb_fosscuda-2022a >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.997000000000000e+00 | 3.997000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 31)