Psi4
Public Member Functions | Private Attributes | List of all members
psi::MoldenWriter Class Reference

#include <writer.h>

Public Member Functions

 MoldenWriter (std::shared_ptr< Wavefunction > wavefunction)
 
void write (const std::string &filename, std::shared_ptr< Matrix > Ca, std::shared_ptr< Matrix > Cb, std::shared_ptr< Vector > Ea, std::shared_ptr< Vector > Eb, std::shared_ptr< Vector > OccA, std::shared_ptr< Vector > OccB, bool dovirtual)
 

Private Attributes

std::shared_ptr< Wavefunctionwavefunction_
 

Constructor & Destructor Documentation

MoldenWriter::MoldenWriter ( std::shared_ptr< Wavefunction wavefunction)

Member Function Documentation

void MoldenWriter::write ( const std::string &  filename,
std::shared_ptr< Matrix Ca,
std::shared_ptr< Matrix Cb,
std::shared_ptr< Vector Ea,
std::shared_ptr< Vector Eb,
std::shared_ptr< Vector OccA,
std::shared_ptr< Vector OccB,
bool  dovirtual 
)

Member Data Documentation

std::shared_ptr<Wavefunction> psi::MoldenWriter::wavefunction_
private

The documentation for this class was generated from the following files: