Match Partial charge 2
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Run spack_foss-2023a_mpi_opt >
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)