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

#include <writer.h>

Public Member Functions

 MOWriter (std::shared_ptr< Wavefunction > wavefunction)
 
void write ()
 

Private Member Functions

void write_mos (Molecule &mol)
 

Private Attributes

std::shared_ptr< Wavefunctionwavefunction_
 
bool restricted_
 
double * Ca_pointer
 
double * eps
 
int * map
 
int * sym
 
int * occ
 
int nmo
 
int nso
 

Constructor & Destructor Documentation

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

Member Function Documentation

void MOWriter::write ( )
void MOWriter::write_mos ( Molecule mol)
private

Member Data Documentation

double* psi::MOWriter::Ca_pointer
private
double * psi::MOWriter::eps
private
int* psi::MOWriter::map
private
int psi::MOWriter::nmo
private
int psi::MOWriter::nso
private
int * psi::MOWriter::occ
private
bool psi::MOWriter::restricted_
private
int * psi::MOWriter::sym
private
std::shared_ptr<Wavefunction> psi::MOWriter::wavefunction_
private

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