Match Partial charge 4
Commits >
Commit 8f70c6ee77762d8b3d61df63beb761c1a94f9b18 >
Run intel_autotools: [intel2023a-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)