Match Partial charge 1
Commits >
Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc >
Run cmake_foss_2022a_min_serial >
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)