Match Partial charge 1
Commits >
Commit 6816b153d33f61198d1ef96fd0f4ab733dba1073 >
Run foss-2022a_mpi_omp >
Input 33-cg.02-additional_terms.inp
Value | Reference | Precision | Status |
4.159000000000000e+00 | 4.179000000000000e+00 | 2.090000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)