votca::xtp::DipoleDipoleInteraction Class Reference

#include <dipoledipoleinteraction.h>

Inheritance diagram for votca::xtp::DipoleDipoleInteraction:

Collaboration diagram for votca::xtp::DipoleDipoleInteraction:

Classes
class	InnerIterator

Public Types
enum	{ ColsAtCompileTime = Eigen::Dynamic , MaxColsAtCompileTime = Eigen::Dynamic , IsRowMajor = false }
using	Scalar = double
using	RealScalar = double
using	StorageIndex = votca::Index

Public Member Functions
	DipoleDipoleInteraction (const eeInteractor &interactor, const std::vector< PolarSegment > &segs)
Index	rows () const
Index	cols () const
Index	outerSize () const
template<typename Vtype >
Eigen::Product< DipoleDipoleInteraction, Vtype, Eigen::AliasFreeProduct >	operator* (const Eigen::MatrixBase< Vtype > &x) const
double	operator() (const Index i, const Index j) const
Eigen::VectorXd	multiply (const Eigen::VectorXd &v) const

Private Attributes
const eeInteractor &	interactor_
std::vector< const PolarSite * >	sites_
Index	size_

Detailed Description

Definition at line 43 of file dipoledipoleinteraction.h.

Member Typedef Documentation

RealScalar

using votca::xtp::DipoleDipoleInteraction::RealScalar = double

Definition at line 48 of file dipoledipoleinteraction.h.

Scalar

using votca::xtp::DipoleDipoleInteraction::Scalar = double

Definition at line 47 of file dipoledipoleinteraction.h.

StorageIndex

using votca::xtp::DipoleDipoleInteraction::StorageIndex = votca::Index

Definition at line 49 of file dipoledipoleinteraction.h.

Member Enumeration Documentation

anonymous enum

anonymous enum

Enumerator
ColsAtCompileTime
MaxColsAtCompileTime
IsRowMajor

Definition at line 50 of file dipoledipoleinteraction.h.

Constructor & Destructor Documentation

DipoleDipoleInteraction()

votca::xtp::DipoleDipoleInteraction::DipoleDipoleInteraction ( const eeInteractor &  interactor, const std::vector< PolarSegment > &  segs  )

inline

Definition at line 56 of file dipoledipoleinteraction.h.

Member Function Documentation

cols()

Index votca::xtp::DipoleDipoleInteraction::cols ( ) const

inline

Definition at line 96 of file dipoledipoleinteraction.h.

multiply()

Eigen::VectorXd votca::xtp::DipoleDipoleInteraction::multiply ( const Eigen::VectorXd &  v ) const

inline

Definition at line 122 of file dipoledipoleinteraction.h.

operator()()

double votca::xtp::DipoleDipoleInteraction::operator() ( const Index  i, const Index  j  ) const

inline

Definition at line 107 of file dipoledipoleinteraction.h.

operator*()

template<typename Vtype >

Eigen::Product< DipoleDipoleInteraction, Vtype, Eigen::AliasFreeProduct > votca::xtp::DipoleDipoleInteraction::operator* ( const Eigen::MatrixBase< Vtype > &  x ) const

inline

Definition at line 101 of file dipoledipoleinteraction.h.

outerSize()

Index votca::xtp::DipoleDipoleInteraction::outerSize ( ) const

inline

Definition at line 97 of file dipoledipoleinteraction.h.

rows()

Index votca::xtp::DipoleDipoleInteraction::rows ( ) const

inline

Definition at line 95 of file dipoledipoleinteraction.h.

Member Data Documentation

interactor_

const eeInteractor& votca::xtp::DipoleDipoleInteraction::interactor_

private

Definition at line 143 of file dipoledipoleinteraction.h.

sites_

std::vector<const PolarSite*> votca::xtp::DipoleDipoleInteraction::sites_

private

Definition at line 144 of file dipoledipoleinteraction.h.

size_

Index votca::xtp::DipoleDipoleInteraction::size_

private

Definition at line 145 of file dipoledipoleinteraction.h.

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

• xtp/include/votca/xtp/dipoledipoleinteraction.h