Match Partial charge 2
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run intel-serial: [intel2023a-serial] >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
9.389999999999999e-01 | 9.320000000000001e-01 | 4.660000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)