Match Partial charge 1
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-opt-full: [foss2023a-serial] >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
3.983000000000000e+00 | 3.983000000000000e+00 | 1.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)