Match Partial charge 2
Commits >
Commit c7ac96946c926bee5c46ca4221093c1f60753f5a >
Run spack_intel-2022a_serial_omp >
Input 33-cg.01-orthogonalize_all.inp
| Value | Reference | Precision | Status |
| 9.600000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)