Match Partial charge 1
Commits >
Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 >
Run spack_foss-2023a_serial_debug >
Input 17-scfinlcao_alt.01-gs.inp
| Value | Reference | Precision | Status |
| 3.983000000000000e+00 | 3.983000000000000e+00 | 1.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)