Match Partial charge 2
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Run intel-2022a >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
9.320000000000001e-01 | 9.320000000000001e-01 | 4.660000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)