Match Partial charge 2
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run foss-serial-full: [foss2023b-serial] >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
9.460000000000000e-01 | 9.460000000000000e-01 | 4.730000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)