Match Partial charge 2
Commits >
Commit 6816b153d33f61198d1ef96fd0f4ab733dba1073 >
Run foss-2022a_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)