Stores list of what to output and when, and implements functions to do so. More...

#include <Dump.h>

Inheritance diagram for Dump:

Public Member Functions
void	setup (const Everything &)

void	operator() (DumpFrequency freq, int iter)

string	getFilename (string varName) const
	Get the dump filename corresponding to a particular variable name.

bool	checkInterval (DumpFrequency freq, int iter) const
	Check whether to dump at given frequency and iteration:

Public Attributes
std::shared_ptr< class DOS >	dos
	density-of-states calculator

std::shared_ptr< struct Polarizability >	polarizability
	electronic polarizability calculator

std::shared_ptr< struct ElectronScattering >	electronScattering
	electron-electron scattering calculator

std::vector< std::pair< double, double > >	densityErange
	energy ranges for energy-resolved density output

std::vector< double >	fermiDensityLevels
	energies at which to evaluate fermi-dirac derivative

std::shared_ptr< struct SlabEpsilon >	slabEpsilon
	slab dielectric function calculator

std::shared_ptr< struct BulkEpsilon >	bulkEpsilon
	bulk dielectric constant calculator

std::shared_ptr< struct ChargedDefect >	chargedDefect
	charged defect correction calculator

std::shared_ptr< struct BGWparams >	bgwParams
	parameters for BGW calculation, if any

std::shared_ptr< struct DumpCprime >	dumpCprime
	dC/dk calculator, if needed

bool	potentialSubtraction
	whether to subtract neutral-atom potentials in Dvac and Dtot output

bool	bandProjectionOrtho

bool	bandProjectionNorm
	whether band projections use ortho-orbitals and are complex/norm-only

matrix3< int >	Munfold
	transformation matrix for band structure unfolding

Detailed Description

Stores list of what to output and when, and implements functions to do so.

Member Function Documentation

Dump all variables that should be dumped at the given DumpFrequency type (End/Gummel/Ionic) at the iter'th iteration at that frequency

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