Match Partial charge 1
Commits >
Commit 7340c9717a63bb8691685536ab6dd281015dc066 >
Run intel_mpi_omp_autotools: [intel2022a-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)