Match Partial charge 45
Commits >
Commit b27eded3d993de0343d6f1363463df82eb2e5c60 >
Run intel_omp_autotools: [intel2023a-serial] >
Input 10-fullerene.01-gs.inp
| Value | Reference | Precision | Status |
| 3.999000000000000e+00 | 3.999000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 46)