Match Partial charge 25
Commits >
Commit e20977157e4d251b72bb22e6c23e92a645445263 >
Run eb_foss-2022a_mpi >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.997000000000000e+00 | 3.997000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 26)