Match Partial charge 60
Commits >
Commit e2be4241e1123cfe2128c9ad54377278ca8d1a05 >
Run cmake_foss_2022a_full_mpi >
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, 61)