ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::TRANS::AtomType Struct Reference

#include <TRANS.h>

List of all members.

Public Member Functions

 AtomType (int I, int S, std::string name)
 AtomType (Real M, Real Q, int S)

Public Attributes

std::vector< Real > mass
std::vector< Real > charge
Array< Real, 3 > old_charge
Array< Real, 3 > new_charge
Array< Real, 2 > alphaLJ
std::vector< int > stage
std::string type_name

Constructor & Destructor Documentation

ProtoMol::TRANS::AtomType::AtomType (  int  I,
int  S,
std::string  name
)  [inline]
 

ProtoMol::TRANS::AtomType::AtomType (  Real  M,
Real  Q,
int  S
)  [inline]
 

Member Data Documentation

Array<Real,2> ProtoMol::TRANS::AtomType::alphaLJ
 

std::vector<Real> ProtoMol::TRANS::AtomType::charge
 

std::vector<Real> ProtoMol::TRANS::AtomType::mass
 

Array<Real,3> ProtoMol::TRANS::AtomType::new_charge
 

Array<Real,3> ProtoMol::TRANS::AtomType::old_charge
 

std::vector<int> ProtoMol::TRANS::AtomType::stage
 

std::string ProtoMol::TRANS::AtomType::type_name
 

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.