Match Partial charge 1
Commits >
Commit c1843387c3c25bf42356cee40f04165a0aff5f6f >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 30-local_multipoles.01-gs.inp
Value | Reference | Precision | Status |
4.258000000000000e+00 | 4.274000000000000e+00 | 2.140000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)