alma::General_harmonic_ifcs< T > Class Template Reference

Hold information about the harmonic interactions between atoms. More...

#include <structures.hpp>

Collaboration diagram for alma::General_harmonic_ifcs< T >:

Public Member Functions
	General_harmonic_ifcs (std::vector< Triple_int > _pos, std::vector< T > _ifcs, int _na, int _nb, int _nc)
	Basic constructor.
std::vector< std::string >::size_type	get_ncells () const

Public Attributes
const std::vector< Triple_int >	pos
	Coordinates of each unit cell for which constants are available. More...
const std::vector< T >	ifcs
	Force constants between unit cell 0 and each unit cell.
const int	na
	Dimension of the supercell originally used for the IFC calculations along the first axis. More...
const int	nb
	Dimension of the supercell originally used for the IFC calculations along the second axis. More...
const int	nc
	Dimension of the supercell originally used for the IFC calculations along the third axis. More...

Detailed Description

template<class T>
class alma::General_harmonic_ifcs< T >

Hold information about the harmonic interactions between atoms.

Normally T will be Eigen::MatrixXd since force constants are real, but it might be useful to change it to Eigen::MatrixXcd in order to operate in mixed real/reciprocal space.

Member Data Documentation

na

template<class T >

const int alma::General_harmonic_ifcs< T >::na

Dimension of the supercell originally used for the IFC calculations along the first axis.

nb

template<class T >

const int alma::General_harmonic_ifcs< T >::nb

Dimension of the supercell originally used for the IFC calculations along the second axis.

nc

template<class T >

const int alma::General_harmonic_ifcs< T >::nc

Dimension of the supercell originally used for the IFC calculations along the third axis.

pos

template<class T >

const std::vector<Triple_int> alma::General_harmonic_ifcs< T >::pos

Coordinates of each unit cell for which constants are available.

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

• structures.hpp