Match Partial charge 3
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run intel_omp_autotools: [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, 4)