ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::C1SwitchingFunction Class Reference

#include <C1SwitchingFunction.h>

Inheritance diagram for ProtoMol::C1SwitchingFunction:

ProtoMol::C1SwitchingFunctionBase List of all members.

Public Types

enum  { USE = 1 }

Public Member Functions

 C1SwitchingFunction ()
 C1SwitchingFunction (Real cutoff)
bool roughTest (Real distSquared) const
Real cutoffSquared () const
void operator() (Real &value, Real &derivOverD, Real distSquared) const
Matrix3by3 hessian (const Vector3D &rij, Real distSquared) const
void getParameters (std::vector< Parameter > &parameters) const

Static Public Member Functions

const std::string & getId ()
unsigned int getParameterSize ()
C1SwitchingFunction make (std::string &errMsg, std::vector< Value > values)

Private Attributes

Real myCutoff
Real myCutoff2
Real myCutoff_3
Real my15Cutoff_1
Real my05Cutoff_3
Real my15Cutoff_3

Detailed Description

The switching function provide C1 continues

Member Enumeration Documentation

anonymous enum
 

Enumeration values:
USE 

Constructor & Destructor Documentation

ProtoMol::C1SwitchingFunction::C1SwitchingFunction (   ) 
 

ProtoMol::C1SwitchingFunction::C1SwitchingFunction (  Real  cutoff  ) 
 

Member Function Documentation

Real ProtoMol::C1SwitchingFunction::cutoffSquared (   )  const [inline]
 

const std::string& ProtoMol::C1SwitchingFunction::getId (   )  [inline, static]
 

void ProtoMol::C1SwitchingFunction::getParameters (  std::vector< Parameter > &  parameters  )  const
 

unsigned int ProtoMol::C1SwitchingFunction::getParameterSize (   )  [inline, static]
 

Matrix3by3 ProtoMol::C1SwitchingFunction::hessian (  const Vector3D &  rij,
Real  distSquared
)  const
 

C1SwitchingFunction ProtoMol::C1SwitchingFunction::make (  std::string &  errMsg,
std::vector< Value >  values
)  [static]
 

void ProtoMol::C1SwitchingFunction::operator() (  Real &  value,
Real &  derivOverD,
Real  distSquared
)  const [inline]
 

bool ProtoMol::C1SwitchingFunction::roughTest (  Real  distSquared  )  const [inline]
 

Member Data Documentation

Real ProtoMol::C1SwitchingFunction::my05Cutoff_3 [private]
 

Real ProtoMol::C1SwitchingFunction::my15Cutoff_1 [private]
 

Real ProtoMol::C1SwitchingFunction::my15Cutoff_3 [private]
 

Real ProtoMol::C1SwitchingFunction::myCutoff [private]
 

Real ProtoMol::C1SwitchingFunction::myCutoff2 [private]
 

Real ProtoMol::C1SwitchingFunction::myCutoff_3 [private]
 

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