mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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#include <cell_list_potential.h>
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 () |
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.
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.
virtual pele::CellListPotential< pairwise_interaction, distance_policy >::~CellListPotential | ( | ) | [inline, virtual] |
Definition at line 183 of file cell_list_potential.h.