Match Partial charge 2
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run intel_omp_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, 3)