Stores list of what to output and when, and implements functions to do so. More...
#include <Dump.h>
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 claculation if any | |
bool | potentialSubtraction |
whether to subtract neutral-atom potentials in Dvac and Dtot output | |
Public Attributes inherited from std::set< K > | |
K | keys |
STL member. | |
Friends | |
class | Phonon |
struct | CommandDump |
struct | CommandDumpName |
struct | CommandDumpInterval |
Stores list of what to output and when, and implements functions to do so.
void Dump::operator() | ( | DumpFrequency | freq, |
int | iter | ||
) |
Dump all variables that should be dumped at the given DumpFrequency type (End/Gummel/Ionic) at the iter'th iteration at that frequency