orbitals.h File Reference

#include <votca/tools/globals.h>
#include <votca/tools/property.h>
#include "aobasis.h"
#include "checkpoint.h"
#include "classicalsegment.h"
#include "eigen.h"
#include "qmmolecule.h"
#include "qmstate.h"

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Classes
class	votca::xtp::Orbitals
	container for molecular orbitals More...

Namespaces
namespace	votca
	Provides a means for comparing floating point numbers.
namespace	votca::xtp
	Charge transport classes.

Macros
#define	VOTCA_XTP_ORBITALS_H

Macro Definition Documentation

VOTCA_XTP_ORBITALS_H

#define VOTCA_XTP_ORBITALS_H

Definition at line 23 of file orbitals.h.