Template Class OverlapAccumulator

• Defined in File cell_list_potential.hpp

Class Documentation

template<typename pairwise_interaction, typename distance_policy>
class OverlapAccumulator

class which accumulates the energy one pair interaction at a time

Public Functions

inline OverlapAccumulator(

std::shared_ptr<pairwise_interaction> &interaction,

std::shared_ptr<distance_policy> &dist,

pele::Array<double> const &coords,

pele::Array<double> const &radii

)

inline void insert_atom_pair(

const size_t atom_i,

const size_t atom_j,

const size_t isubdom

)

Public Members

std::vector<size_t> m_overlap_inds