Match Partial charge 2
Commits >
Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 >
Run eb_foss-2022a_mpi >
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)