Match Partial charge 3
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Run spack_intel-2022a_impi_omp >
Input 17-scfinlcao_alt.01-gs.inp
| Value | Reference | Precision | Status |
| 7.023000000000000e+00 | 7.023000000000001e+00 | 3.510000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)