pele
Python energy landscape explorer
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pele::LJCutPeriodicAtomList Class Reference

#include <lj_cut.h>

Inheritance diagram for pele::LJCutPeriodicAtomList:
pele::AtomListPotential< lj_interaction_cut_smooth, periodic_distance< 3 > > pele::BasePotential

List of all members.

Public Member Functions

 LJCutPeriodicAtomList (double C6, double C12, double rcut, pele::Array< double > boxvec, Array< size_t > atoms1, Array< size_t > atoms2)
 LJCutPeriodicAtomList (double C6, double C12, double rcut, pele::Array< double > boxvec, Array< size_t > atoms1)

Detailed Description

Pairwise Lennard-Jones potential with smooth cutoff with loops done using atom lists

Definition at line 131 of file lj_cut.h.


Constructor & Destructor Documentation

pele::LJCutPeriodicAtomList::LJCutPeriodicAtomList ( double  C6,
double  C12,
double  rcut,
pele::Array< double >  boxvec,
Array< size_t >  atoms1,
Array< size_t >  atoms2 
) [inline]

Definition at line 133 of file lj_cut.h.

pele::LJCutPeriodicAtomList::LJCutPeriodicAtomList ( double  C6,
double  C12,
double  rcut,
pele::Array< double >  boxvec,
Array< size_t >  atoms1 
) [inline]

Definition at line 141 of file lj_cut.h.


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