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DFT-FE 1.3.0-pre
Density Functional Theory With Finite-Elements
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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) |
| 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 ) |
| dftfe::Int dftfe::pseudoUtils::xmlNodeChildCount | ( | std::vector< std::string > | tag_name, |
| std::string | file_path_in ) |
| 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 ) |
| std::vector< double > dftfe::pseudoUtils::XmlTagReaderMain | ( | std::vector< std::string > | tag_name, |
| std::string | file_path_in ) |
| void dftfe::pseudoUtils::xmltoCoreDensityFile | ( | std::string | file_path_in, |
| std::string | file_path_out ) |
| void dftfe::pseudoUtils::xmltoDenomFile | ( | std::string | file_path_in, |
| std::string | file_path_out ) |
| void dftfe::pseudoUtils::xmltoDensityFile | ( | std::string | file_path_in, |
| std::string | file_path_out ) |
| void dftfe::pseudoUtils::xmltoLocalPotential | ( | std::string | file_path_in, |
| std::string | file_path_out ) |
| void dftfe::pseudoUtils::xmltoOrbitalFile | ( | std::string | file_path_in, |
| std::string | file_path_out ) |
| void dftfe::pseudoUtils::xmltoProjectorFile | ( | std::string | file_path_in, |
| std::string | file_path_out ) |
| void dftfe::pseudoUtils::xmltoSummaryFile | ( | std::string | file_path_in, |
| std::string | file_path_out ) |