Match Partial charge 35
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run intel_omp_autotools: [intel2022a-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, 36)