6#include "molecules/Component.h"
7#include "molecules/Array2D.h"
8#include "molecules/ParaStrm.h"
24 const std::vector<double>& mixcoeff,
25 double epsRF,
double rc,
double rcLJ) :
26 m_numcomp(components.size()), m_ssparatbl(m_numcomp,m_numcomp)
28 initialize(components, mixcoeff, epsRF, rc, rcLJ);
33 return m_ssparatbl(i,j);
41 void initialize(
const std::vector<Component>& components,
const std::vector<double>& mixcoeff,
double epsRF,
double rc,
double rcLJ);
44 unsigned int m_numcomp;
Definition: Comp2Param.h:15
void initialize(const std::vector< Component > &components, const std::vector< double > &mixcoeff, double epsRF, double rc, double rcLJ)
Initialize the parameter streams for each component-component table entry.
Definition: Comp2Param.cpp:10
ParaStrm & operator()(unsigned int i, unsigned int j)
Definition: Comp2Param.h:32
Comp2Param(const std::vector< Component > &components, const std::vector< double > &mixcoeff, double epsRF, double rc, double rcLJ)
Definition: Comp2Param.h:23
Comp2Param()
Definition: Comp2Param.h:18
Definition: ParaStrm.h:21