Match Partial charge 5
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run spack_foss-2022a_ppc >
Input 16-scfinlcao_std.01-gs.inp
| Value | Reference | Precision | Status |
| 7.031000000000000e+00 | 7.032000000000000e+00 | 3.520000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)