MethodLdad< T > Class Template Reference

Lattice-dependent averaging-domain method. More...

#include <MethodLdad.h>

Inheritance diagram for MethodLdad< T >:

Collaboration diagram for MethodLdad< T >:

Public Member Functions
	MethodLdad (const Matrix3d &ldadVectors)
	MethodLdad (const MethodLdad &)
virtual	~MethodLdad ()
Public Member Functions inherited from Method< MethodLdad< T > >
virtual	~Method ()
double	operator() (const Vector3d &vec) const
	The pointwise weighting function \(w\).
double	bondFunction (const Vector3d &vec1, const Vector3d &vec2) const
	The bond function \(b(\boldsymbol v^1, \boldsymbol v^2)\) gives the weight associated to a bond formed by two atoms.
double	getAveragingDomainSize () const
	Gets the spatial size of the averaging domain, i.e. the support of the weighting function.

Protected Member Functions
double	operator() (const Vector3d &vec) const
double	bondFunction (const Vector3d &vec1, const Vector3d &vec2) const

Friends
class	Method< MethodLdad< T > >

Additional Inherited Members
Protected Attributes inherited from Method< MethodLdad< T > >
double	averagingDomainSize

Detailed Description

template<typename T>
class MethodLdad< T >

Lattice-dependent averaging-domain method.

MethodLdad defines a separable weighting function in the basis provided by ldadVectors. The pointwise weight used for Cauchy kinetic stress, momentum density, and mass density is normalized as

\[ w(\mathbf r)= \frac{\phi(\xi_1)\phi(\xi_2)\phi(\xi_3)} {|\det A|\left(\int_{-1}^{1}\phi(t)\,dt\right)^3}, \qquad \boldsymbol\xi=A^{-1}\mathbf r, \]

where \(A\) is the matrix of LDAD vectors.

The potential-stress bond function uses a separate historical normalization path through normalizer and oneDFunction.integrate(). This keeps existing LDAD potential-stress results unchanged while ensuring direct pointwise weights integrate to one.

Examples

testIdealGas.cpp, testLDADLJ.cpp, testLDADSWTriclinic.cpp, and testMls.cpp.

Definition at line 38 of file MethodLdad.h.

Constructor & Destructor Documentation

MethodLdad() [1/2]

template<typename T >

MethodLdad< T >::MethodLdad

(

const Matrix3d &

ldadVectors

)

Definition at line 16 of file MethodLdad.cpp.

MethodLdad() [2/2]

template<typename T >

MethodLdad< T >::MethodLdad

(

const MethodLdad< T > &

)

~MethodLdad()

template<typename T >

MethodLdad< T >::~MethodLdad ( )

virtual

Definition at line 42 of file MethodLdad.cpp.

Member Function Documentation

bondFunction()

template<typename T >

double MethodLdad< T >::bondFunction ( const Vector3d &  vec1, const Vector3d &  vec2  ) const

protected

Definition at line 56 of file MethodLdad.cpp.

operator()()

template<typename T >

double MethodLdad< T >::operator() ( const Vector3d &  vec ) const

protected

Definition at line 47 of file MethodLdad.cpp.

Friends And Related Symbol Documentation

Method< MethodLdad< T > >

template<typename T >

friend class Method< MethodLdad< T > >

friend

Definition at line 103 of file MethodLdad.h.

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The documentation for this class was generated from the following files:

• include/MDStressLab++/MethodLdad.h
• include/MDStressLab++/MethodLdad.cpp