structures.hpp File Reference

Definitions of the basic data-handling classes in ALMA. More...

#include <map>
#include <array>
#include <vector>
#include <utility>
#include <numeric>
#include <limits>
#include <boost/math/special_functions/pow.hpp>
#include <boost/mpi.hpp>
#include <Eigen/Dense>
#include <Eigen/StdVector>
#include <cmakevars.hpp>
#include <constants.hpp>
#include <utilities.hpp>
#include <exceptions.hpp>
#include <periodic_table.hpp>

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Classes
class	alma::Crystal_structure
	Hold information about a crystal structure. More...
class	alma::General_harmonic_ifcs< T >
	Hold information about the harmonic interactions between atoms. More...
class	alma::Dielectric_parameters
	Hold information about the polarization properties of the structure. More...
class	alma::Supercell_index
	Phonopy-style atom index represented both as a single integer and as four indices. More...
class	alma::Supercell_index_builder
	Builder for Supercell_index objects sharing the same na, nb, nc. More...
class	alma::Thirdorder_ifcs
	Class representing the anharmonic (third-order) interaction between two atoms atoms. More...

Typedefs
using	alma::Triple_int = std::array< int, 3 >
	Convenient shorthand for an array of three ints.
template<typename T >
using	alma::Triple_int_map = std::map< Triple_int, T, Container_comparator< Triple_int > >
	Specialized version of map whose keys are of class Triple_int.
using	alma::Harmonic_ifcs = General_harmonic_ifcs< Eigen::MatrixXd >
	Specialization of General_harmonic_ifcs for the most common use case. More...

Detailed Description

Definitions of the basic data-handling classes in ALMA.

Typedef Documentation

Harmonic_ifcs

using alma::Harmonic_ifcs = typedef General_harmonic_ifcs<Eigen::MatrixXd>

Specialization of General_harmonic_ifcs for the most common use case.