Class LJCutPeriodicAtomList

• Defined in File lj_cut.hpp

Inheritance Relationships

Base Type

• public pele::AtomListPotential< lj_interaction_cut_smooth, periodic_distance< 3 > > (Template Class AtomListPotential)

Class Documentation

class LJCutPeriodicAtomList : public pele::AtomListPotential<lj_interaction_cut_smooth, periodic_distance<3>>

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

Public Functions

inline LJCutPeriodicAtomList(

double C6,

double C12,

double rcut,

pele::Array<double> boxvec,

Array<size_t> atoms1,

Array<size_t> atoms2

)

inline LJCutPeriodicAtomList(

double C6,

double C12,

double rcut,

pele::Array<double> boxvec,

Array<size_t> atoms1

)