7#ifndef BALL_MOLMEC_PARAMETER_LENNARDJONES_H
8#define BALL_MOLMEC_PARAMETER_LENNARDJONES_H
10#ifndef BALL_FORMAT_PARAMETERSECTION_H
14#ifndef BALL_MOLMEC_PARAMETER_ATOMTYPES_H
55 SLATER_KIRKWOOD_FORMAT
110 const String& section_name) ;
114 const String& section_name) ;
154 std::vector<float>
A_;
156 std::vector<float>
B_;
158 std::vector<float>
N_;
std::vector< float > Bij_
LennardJones(const LennardJones &lj)
std::vector< float > Aij_
std::vector< String > names_
virtual bool extractSection(ForceFieldParameters ¶meters, const String §ion_name)
Values getParameters(Atom::Type I, Atom::Type J) const
bool assignParameters(Values ¶meters, Atom::Type I, Atom::Type J) const
virtual bool extractSection(Parameters ¶meters, const String §ion_name)
std::vector< bool > is_defined_
bool hasParameters(Atom::Type I, Atom::Type J) const
Size number_of_atom_types_