Match Partial charge 2
Commits >
Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 >
Run foss-serial-full: [foss2023a-serial] >
Input 33-cg.01-orthogonalize_all.inp
Value | Reference | Precision | Status |
9.690000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)