mcpele  1.0.0
The Monte Carlo Python Energy Landscape Explorer
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pele::CellListPotential< pairwise_interaction, distance_policy > Class Template Reference

#include <cell_list_potential.h>

Inheritance diagram for pele::CellListPotential< pairwise_interaction, distance_policy >:
pele::PairIteratorPotential< pairwise_interaction, distance_policy, CellIter< distance_policy > > pele::BasePotential

List of all members.

Public Member Functions

 CellListPotential (std::shared_ptr< pairwise_interaction > interaction, std::shared_ptr< distance_policy > dist, pele::Array< double > boxv, double rcut, double ncellx_scale)
virtual ~CellListPotential ()

Detailed Description

template<typename pairwise_interaction, typename distance_policy>
class pele::CellListPotential< pairwise_interaction, distance_policy >

Potential to iterate over the list of atom pairs generated with the cell list implementation in neighbor_iterator.h. This should also do the cell list construction and refresh, such that the interface is the same for the user as with SimplePairwise.

Definition at line 172 of file cell_list_potential.h.


Constructor & Destructor Documentation

template<typename pairwise_interaction, typename distance_policy>
pele::CellListPotential< pairwise_interaction, distance_policy >::CellListPotential ( std::shared_ptr< pairwise_interaction >  interaction,
std::shared_ptr< distance_policy >  dist,
pele::Array< double >  boxv,
double  rcut,
double  ncellx_scale 
) [inline]

Definition at line 175 of file cell_list_potential.h.

template<typename pairwise_interaction, typename distance_policy>
virtual pele::CellListPotential< pairwise_interaction, distance_policy >::~CellListPotential ( ) [inline, virtual]

Definition at line 183 of file cell_list_potential.h.


The documentation for this class was generated from the following file:
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