votca::xtp::StochasticNetworkFit::Data Struct Reference

microscopic system More...

#include <stochasticnetworkfit.h>

Collaboration diagram for votca::xtp::StochasticNetworkFit::Data:

Classes
struct	Pair

Public Attributes
Eigen::Vector3d	box = Eigen::Vector3d::Zero()
std::vector< Eigen::Vector3d >	positions
std::vector< QMStateType >	carriers
std::vector< std::vector< double > >	energies
std::vector< double >	U_xX_nN
std::vector< double >	U_nX_nN
std::vector< double >	U_xN_xX
std::vector< Pair >	pairs

Detailed Description

microscopic system

Definition at line 112 of file stochasticnetworkfit.h.

Member Data Documentation

box

Eigen::Vector3d votca::xtp::StochasticNetworkFit::Data::box = Eigen::Vector3d::Zero()

Definition at line 113 of file stochasticnetworkfit.h.

carriers

std::vector<QMStateType> votca::xtp::StochasticNetworkFit::Data::carriers

Definition at line 115 of file stochasticnetworkfit.h.

energies

std::vector<std::vector<double> > votca::xtp::StochasticNetworkFit::Data::energies

Definition at line 116 of file stochasticnetworkfit.h.

pairs

std::vector<Pair> votca::xtp::StochasticNetworkFit::Data::pairs

Definition at line 126 of file stochasticnetworkfit.h.

positions

std::vector<Eigen::Vector3d> votca::xtp::StochasticNetworkFit::Data::positions

Definition at line 114 of file stochasticnetworkfit.h.

U_nX_nN

std::vector<double> votca::xtp::StochasticNetworkFit::Data::U_nX_nN

Definition at line 118 of file stochasticnetworkfit.h.

U_xN_xX

std::vector<double> votca::xtp::StochasticNetworkFit::Data::U_xN_xX

Definition at line 119 of file stochasticnetworkfit.h.

U_xX_nN

std::vector<double> votca::xtp::StochasticNetworkFit::Data::U_xX_nN

Definition at line 117 of file stochasticnetworkfit.h.

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

• xtp/include/votca/xtp/stochasticnetworkfit.h