Match Partial charge 5
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Run intel-2022b_impi >
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, 6)