Match Partial charge 2
Commits >
Commit 119356330ffc33ec037b7259f31bc868121af1f1 >
Run spack_foss-2022a_cuda_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)