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QMCPACK
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This is the complete list of members for EshdfFile, including all inherited members.
EshdfFile(const EshdfFile &f) | EshdfFile | private |
EshdfFile(const std::string &hdfFileName) | EshdfFile | |
getIntsOnly(const std::string &str) const | EshdfFile | private |
getNumElectrons(std::vector< std::vector< double >> &occupations, std::vector< double > &weights, int &nup, int &ndn, int spinpol, int ncol) | EshdfFile | private |
getOccupation(const XmlNode *nd) const | EshdfFile | private |
getPtvs(const XmlNode &qeXml) | EshdfFile | private |
handleDensity(const XmlNode &qeXml, const std::string &dir_name, int spinpol) | EshdfFile | private |
handleKpt(int kpt_num, const std::string &dir_name, KPoint &kpt, const std::vector< double > &eigenvalues, double weight, int spinpol, int noncol, const momap_t &moref) | EshdfFile | private |
handleSpinGroup(const XmlNode *nd, double &nocc, FftContainer &cont) | EshdfFile | private |
momap_t typedef | EshdfFile | private |
mopair_t typedef | EshdfFile | private |
openHdfFileForRead(const std::string &fname) | EshdfFile | private |
operator=(const EshdfFile &f) | EshdfFile | private |
outfile_ | EshdfFile | private |
processKPts(const XmlNode &band_structure_xml, const std::vector< double > &ptvs, std::vector< std::vector< double >> &eigenvals, std::vector< std::vector< double >> &occupations, std::vector< KPoint > &kpts, std::vector< double > &weights, std::vector< int > &ngvecs) | EshdfFile | private |
readInEigFcn(const XmlNode &nd, FftContainer &cont) | EshdfFile | private |
readKptGvecs(int kpt_num, const std::string &dir_name, int spinpol, momap_t &morefmap) | EshdfFile | private |
wrapped(int i, int size) const | EshdfFile | private |
writeApplication(const std::string &appName, int major, int minor, int sub) | EshdfFile | private |
writeCreator() | EshdfFile | private |
writeFormat() | EshdfFile | private |
writeQboxAtoms(const XmlNode &qboxSample) | EshdfFile | |
writeQboxBoilerPlate(const XmlNode &qboxSample) | EshdfFile | |
writeQboxElectrons(const XmlNode &qboxSample) | EshdfFile | |
writeQboxSupercell(const XmlNode &qboxSample) | EshdfFile | |
writeQEAtoms(const XmlNode &qeXml) | EshdfFile | |
writeQEBoilerPlate(const XmlNode &qeXml) | EshdfFile | |
writeQEElectrons(const XmlNode &qeXml, const std::string &dir_name) | EshdfFile | |
writeQESupercell(const XmlNode &qeXml) | EshdfFile | |
writeVersion() | EshdfFile | private |
~EshdfFile() | EshdfFile |