Match Partial charge 5
Commits >
Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
7.024000000000000e+00 | 7.024000000000000e+00 | 3.510000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)