Match Partial charge 4
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_min_autotools: [foss2022a-mpi] >
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)