Match Partial charge 1
Commits >
Commit c68f907d5c2dd67e7cea53ae6c080e7ec198375a >
Run intel-2022a_omp_impi >
Input 33-cg.03-cg_direction.inp
Value | Reference | Precision | Status |
4.159000000000000e+00 | 4.179000000000000e+00 | 2.090000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)