Match Partial charge 5
Commits >
Commit 8f782d5cf55620fdc67b764848371cb8de44e683 >
Run spack_intel-2022a_impi_omp >
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)