Match Partial charge 35
Commits >
Commit c18e6529b073b7f96582e125ea28d09e3ac5067c >
Run spack_foss-2022a_cuda_mpi_omp >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
4.000000000000000e+00 | 4.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 36)