Match Partial charge 60
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
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, 61)