Match Partial charge 50
Commits >
Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 >
Run spack_foss-2022a_cuda_mpi_omp >
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, 51)