Match Partial charge 1
Commits >
Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c >
Run eb_foss-2022a >
Input 33-cg.01-orthogonalize_all.inp
Value | Reference | Precision | Status |
4.159000000000000e+00 | 4.179000000000000e+00 | 2.090000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)