| version 1.7 | version 1.8 | ||
|---|---|---|---|
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| 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); | ||
| } | } |
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