pele::EnergyAccumulator< pairwise_interaction, distance_policy > Class Template Reference

#include <cell_list_potential.h>

List of all members.

Public Member Functions
	EnergyAccumulator (std::shared_ptr< pairwise_interaction > interaction, std::shared_ptr< distance_policy > dist, pele::Array< double > x)
void	insert_atom_pair (size_t const atom_i, size_t const atom_j)
Public Attributes
double	m_energy

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Detailed Description

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

Potential to iterate over the list of atom pairs generated with the cell list implementation in cell_lists.h. This should also do the cell list construction and refresh, such that the interface is the same for the user as with SimplePairwise. class which accumulates the energy one pair interaction at a time

Definition at line 172 of file cell_list_potential.h.

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Constructor & Destructor Documentation

template<typename pairwise_interaction , typename distance_policy >

pele::EnergyAccumulator< pairwise_interaction, distance_policy >::EnergyAccumulator	(	std::shared_ptr< pairwise_interaction >	interaction,
		std::shared_ptr< distance_policy >	dist,
		pele::Array< double >	x
	)		[inline]

Definition at line 181 of file cell_list_potential.h.

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Member Function Documentation

template<typename pairwise_interaction , typename distance_policy >

void pele::EnergyAccumulator< pairwise_interaction, distance_policy >::insert_atom_pair	(	size_t const	atom_i,
		size_t const	atom_j
	)		[inline]

Definition at line 190 of file cell_list_potential.h.

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Member Data Documentation

template<typename pairwise_interaction , typename distance_policy >

double pele::EnergyAccumulator< pairwise_interaction, distance_policy >::m_energy

Definition at line 179 of file cell_list_potential.h.

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

• /home/js850/projects/pele/source/pele/cell_list_potential.h