triqs::atom_diag::atom_diag< Complex >::eigensystem_t

#include <triqs/atom_diag/atom_diag.hpp>

Detailed Description

template<bool Complex>
struct triqs::atom_diag::atom_diag< Complex >::eigensystem_t

Eigensystem of a single invariant subspace of the Hamiltonian \( H_B \).

Holds the eigenvalues \( E_B \) (with the global ground-state energy subtracted, so that the smallest eigenvalue across all subspaces is zero) and the unitary matrix \( U_B \) that maps the Fock basis of the subspace to the eigenbasis.

Definition at line 118 of file atom_diag.hpp.

Public Member Functions
bool	operator== (eigensystem_t const &) const =default
	Default equal-to operator compares the eigenvalues and unitary matrix.

Static Public Member Functions
static std::string	hdf5_format ()
	Get the HDF5 format tag.

Public Attributes
vector< double >	eigenvalues
	Eigenvalues \( E_B \) sorted in ascending order.
matrix_t	unitary_matrix
	Unitary matrix \( U_B \) mapping the Fock basis to the eigenbasis.

Friends
void	h5_read (h5::group g, std::string const &name, eigensystem_t &es)
	Read an eigensystem from HDF5.
void	h5_write (h5::group g, std::string const &name, eigensystem_t const &es)
	Write an eigensystem to HDF5.
void	mpi_broadcast (eigensystem_t &es, mpi::communicator c={}, int root=0)
	Broadcast an eigensystem to all ranks of an MPI communicator.

Friends And Related Symbol Documentation

h5_read

template<bool Complex>

void h5_read ( h5::group g, std::string const & name, eigensystem_t & es )

friend

Read an eigensystem from HDF5.

Parameters

g	HDF5 group to read from.
name	Name of the subgroup containing the eigensystem.
es	Eigensystem to read into.

Definition at line 163 of file atom_diag.hpp.

h5_write

template<bool Complex>

void h5_write ( h5::group g, std::string const & name, eigensystem_t const & es )

friend

Write an eigensystem to HDF5.

Parameters

g	HDF5 group to write into.
name	Name of the subgroup to create.
es	Eigensystem to write.

Definition at line 150 of file atom_diag.hpp.

mpi_broadcast

template<bool Complex>

void mpi_broadcast ( eigensystem_t & es, mpi::communicator c = {}, int root = 0 )

friend

Broadcast an eigensystem to all ranks of an MPI communicator.

Parameters

es	Eigensystem to broadcast.
c	MPI communicator.
root	Rank holding the source eigensystem.

Definition at line 135 of file atom_diag.hpp.

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

• triqs/atom_diag/atom_diag.hpp