Match Partial charge 4
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
Run intel-2022a_omp_impi >
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, 5)