Match Partial charge 2
Commits >
Commit e7a2691383642ecf56f17c5ca9d2debd1d27e53e >
Run intel_omp_autotools: [intel2022a-serial] >
Input 17-scfinlcao_alt.01-gs.inp
| Value | Reference | Precision | Status |
| 9.460000000000000e-01 | 9.460000000000000e-01 | 4.730000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)