Match Partial charge 2
Commits >
Commit c68f907d5c2dd67e7cea53ae6c080e7ec198375a >
Run spack_foss-2022a_serial_min >
Input 30-local_multipoles.01-gs.inp
| Value | Reference | Precision | Status |
| 9.320000000000001e-01 | 9.320000000000001e-01 | 4.660000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)