Match Partial charge 4
Commits >
Commit e4c059220ca1a60f4b3fbcd10e5162435e5fcc26 >
Run intel-omp: [intel2022a-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, 5)