Match Partial charge 4
Commits >
Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 >
Run cmake_foss_2022a_full_serial >
Input 33-cg.01-orthogonalize_all.inp
Value | Reference | Precision | Status |
9.600000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)