DFT-FE 1.3.0-pre
Density Functional Theory With Finite-Elements
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dftfe::pseudoUtils Namespace Reference

Functions

std::vector< double > XmlTagReaderMain (std::vector< std::string > tag_name, std::string file_path_in)
void XmlTagReaderAttr (std::vector< std::string > tag_name, std::string file_path_in, std::vector< std::string > *attr_type, std::vector< std::string > *attr_value)
dftfe::Int xmlNodeChildCount (std::vector< std::string > tag_name, std::string file_path_in)
void xmltoSummaryFile (std::string file_path_in, std::string file_path_out)
void xmltoProjectorFile (std::string file_path_in, std::string file_path_out)
void xmltoLocalPotential (std::string file_path_in, std::string file_path_out)
void xmltoDenomFile (std::string file_path_in, std::string file_path_out)
void xmltoCoreDensityFile (std::string file_path_in, std::string file_path_out)
void xmltoDensityFile (std::string file_path_in, std::string file_path_out)
void xmltoOrbitalFile (std::string file_path_in, std::string file_path_out)
dftfe::Int pseudoPotentialToDftfeParser (const std::string file_path_in, const std::string file_path_out, const dftfe::Int verbosity, dftfe::uInt &nlccFlag, dftfe::uInt &socFlag, dftfe::uInt &pawFlag)

Function Documentation

◆ pseudoPotentialToDftfeParser()

dftfe::Int dftfe::pseudoUtils::pseudoPotentialToDftfeParser ( const std::string file_path_in,
const std::string file_path_out,
const dftfe::Int verbosity,
dftfe::uInt & nlccFlag,
dftfe::uInt & socFlag,
dftfe::uInt & pawFlag )

◆ xmlNodeChildCount()

dftfe::Int dftfe::pseudoUtils::xmlNodeChildCount ( std::vector< std::string > tag_name,
std::string file_path_in )

◆ XmlTagReaderAttr()

void dftfe::pseudoUtils::XmlTagReaderAttr ( std::vector< std::string > tag_name,
std::string file_path_in,
std::vector< std::string > * attr_type,
std::vector< std::string > * attr_value )

◆ XmlTagReaderMain()

std::vector< double > dftfe::pseudoUtils::XmlTagReaderMain ( std::vector< std::string > tag_name,
std::string file_path_in )

◆ xmltoCoreDensityFile()

void dftfe::pseudoUtils::xmltoCoreDensityFile ( std::string file_path_in,
std::string file_path_out )

◆ xmltoDenomFile()

void dftfe::pseudoUtils::xmltoDenomFile ( std::string file_path_in,
std::string file_path_out )

◆ xmltoDensityFile()

void dftfe::pseudoUtils::xmltoDensityFile ( std::string file_path_in,
std::string file_path_out )

◆ xmltoLocalPotential()

void dftfe::pseudoUtils::xmltoLocalPotential ( std::string file_path_in,
std::string file_path_out )

◆ xmltoOrbitalFile()

void dftfe::pseudoUtils::xmltoOrbitalFile ( std::string file_path_in,
std::string file_path_out )

◆ xmltoProjectorFile()

void dftfe::pseudoUtils::xmltoProjectorFile ( std::string file_path_in,
std::string file_path_out )

◆ xmltoSummaryFile()

void dftfe::pseudoUtils::xmltoSummaryFile ( std::string file_path_in,
std::string file_path_out )