Match Partial charge 3
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
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)