Match Partial charge 20
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Run cmake_foss_2022a_full_serial >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.998000000000000e+00 | 3.998000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 21)