Match Partial charge 1
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss-mpi-min: [foss2022a-mpi] >
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)