Template Class NeighborAccumulator

• Defined in File cell_list_potential.hpp

Class Documentation

template<typename pairwise_interaction, typename distance_policy>
class NeighborAccumulator

class which accumulates the energy one pair interaction at a time

Public Functions

inline NeighborAccumulator(

PairwisePotentialInterface *pot,

std::shared_ptr<pairwise_interaction> &interaction,

std::shared_ptr<distance_policy> &dist,

pele::Array<double> const &coords,

pele::Array<double> const &radii,

const double cutoff_sca,

pele::Array<short> const &include_atoms

)

inline void insert_atom_pair(const size_t atom_i, const size_t atom_j, const size_t)

Public Members

pele::Array<std::vector<size_t>> m_neighbor_indexes

pele::Array<std::vector<std::vector<double>>> m_neighbor_displacements