nwchem::MovecReader Struct Reference

#include <MovecsParser.hpp>

Collaboration diagram for nwchem::MovecReader:

Public Member Functions
	MovecReader (const std::string &fileName)

Public Attributes
size_t	nsets
size_t	Np
std::vector< int64_t >	nmo
std::vector< std::vector< double > >	occupations
std::vector< std::vector< double > >	eigenvalues
std::vector< std::vector< double > >	mos
size_t	iset = 0

Constructor & Destructor Documentation

MovecReader()

nwchem::MovecReader::MovecReader ( const std::string &  fileName )

inline

Member Data Documentation

eigenvalues

std::vector<std::vector<double> > nwchem::MovecReader::eigenvalues

iset

size_t nwchem::MovecReader::iset = 0

mos

std::vector<std::vector<double> > nwchem::MovecReader::mos

nmo

std::vector<int64_t> nwchem::MovecReader::nmo

Np

size_t nwchem::MovecReader::Np

nsets

size_t nwchem::MovecReader::nsets

occupations

std::vector<std::vector<double> > nwchem::MovecReader::occupations

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

• MovecsParser.hpp