Match Partial charge 25
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run cuda-serial: [foss2022a-cuda-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)