Match Partial charge 2
Commits >
Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee >
Run spack_foss-2023a_mpi_omp >
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)