QMCMolecule.cpp File Reference

#include "QMCMolecule.h"
#include "Lebedev-Laikov.h"
#include "MathFunctions.h"
#include <iomanip>

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Functions
istream &	operator>> (istream &strm, QMCMolecule &rhs)
ostream &	operator<< (ostream &strm, QMCMolecule &rhs)

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Function Documentation

ostream& operator<<	(	ostream &	strm,
		QMCMolecule &	rhs
	)

Definition at line 397 of file QMCMolecule.cpp.

References QMCMolecule::Atom_Labels, QMCMolecule::Atom_Positions, Array1D< T >::dim1(), QMCMolecule::Natoms, QMCMolecule::psuedoTitle, QMCMolecule::usesPsuedo, QMCMolecule::Vlocal, QMCMolecule::Vnonlocal, QMCMolecule::Z, and QMCMolecule::Zeff.

istream& operator>>	(	istream &	strm,
		QMCMolecule &	rhs
	)

Definition at line 81 of file QMCMolecule.cpp.

References Array2D< T >::allocate(), Array1D< T >::allocate(), QMCMolecule::Atom_Labels, QMCMolecule::Atom_Positions, QMCMolecule::Natoms, StringManipulation::toFirstUpperRestLower(), QMCMolecule::usesPsuedo, QMCMolecule::Z, and QMCMolecule::Zeff.