Match Partial charge 2
Commits >
Commit a02211b136400868a3f91e422c586cb9ab194975 >
Run foss-cmake-zen4: [foss2023a-serial, foss-min] >
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, 3)