ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
Main Page | Namespace List | Class Hierarchy | Alphabetical List | Class List | File List | Namespace Members | Class Members | File Members

ProtoMol::LennardJonesParameters Struct Reference

The Lennard-Jones parameters for one pair of atom types.

#include <LennardJonesParameters.h>

List of all members.

Public Member Functions

 LennardJonesParameters ()
 LennardJonesParameters (Real a, Real b)
 LennardJonesParameters (Real a, Real b, Real a14, Real b14)

Public Attributes

Real A
Real B
Real A14
Real B14

Constructor & Destructor Documentation

ProtoMol::LennardJonesParameters::LennardJonesParameters (   )  [inline]
 

ProtoMol::LennardJonesParameters::LennardJonesParameters (  Real  a,
Real  b
)  [inline]
 

ProtoMol::LennardJonesParameters::LennardJonesParameters (  Real  a,
Real  b,
Real  a14,
Real  b14
)  [inline]
 

Member Data Documentation

Real ProtoMol::LennardJonesParameters::A
 

Real ProtoMol::LennardJonesParameters::A14
 

Real ProtoMol::LennardJonesParameters::B
 

The non-1-4 parameters for these atom types.

Real ProtoMol::LennardJonesParameters::B14
 

The 1-4 parameters for these atom types.

The documentation for this struct was generated from the following file: Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.