Match Partial charge 4
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_min_autotools: [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, 5)