Match Partial charge 4
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run intel-omp: [intel2022a-serial] >
Input 33-cg.02-additional_terms.inp
Value | Reference | Precision | Status |
9.690000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)