Match Partial charge 5
Commits >
Commit e2be4241e1123cfe2128c9ad54377278ca8d1a05 >
Run eb_foss-2022a_mpi_debug >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
4.001000000000000e+00 | 4.001000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)