version 1.7 | version 1.8 | ||
---|---|---|---|
|
| ||
BigReal ewaldcof = ComputeNonbondedUtil::ewaldcof; | BigReal ewaldcof = ComputeNonbondedUtil::ewaldcof; | ||
evir[0] = myKSpace->compute_energy(data, | evir[0] = myKSpace->compute_energy(data, | ||
lattice, ewaldcof, &(evir[1])); | lattice, ewaldcof, &(evir[1]), 0); | ||
//contribute (7*sizeof(double), evir.begin(), CkReduction::sum_double, initdata.cb_energy); | //contribute (7*sizeof(double), evir.begin(), CkReduction::sum_double, initdata.cb_energy); | ||
} | } |
Legend:
|