Match Partial charge 2
Commits >
Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 30-local_multipoles.01-gs.inp
Value | Reference | Precision | Status |
9.350000000000001e-01 | 9.320000000000001e-01 | 4.660000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)