Match Partial charge 4
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run intel-2022a >
Input 33-cg.01-orthogonalize_all.inp
| Value | Reference | Precision | Status |
| 9.600000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)