Match Partial charge 4
Commits >
Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 >
Run foss-2022a_ppc >
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)