halocorb.h

#ifndef HALOCORB_H
#define HALOCORB_H
//  halocorb.h
//
//  Definition of Classes 
//  to define Local Orbital object in HARLEM.
//
//
//  Igor Kurnikov , University of Pittsburgh 
//
//  Revisions: November 17 1997
//             December 18 1997
//

#include "hastl.h"
#include "haatomorb.h"

class HaQCMod;

class HaLocOrb
//  Class to define Local Orbital Object
{
public:
  HaLocOrb();
  HaLocOrb(const HaLocOrb & lorb);
  HaLocOrb(const HaAtomOrb & ao);
  virtual ~HaLocOrb();

  bool operator == (const HaLocOrb & rhs) const;   
  bool operator <  (const HaLocOrb & rhs) const;  

  HaAtom* GetFstAtHost(); // Get first Atom local orbital is located on
  const HaAtom* GetFstAtHost() const;
  const HaString& GetLbl() const;
  bool FillRef(char* buf) const;
  bool Expand(HaVec_double & dvect, const HaQCMod & qc_mod) const;
  bool Expand(double* dvect, const HaQCMod & host) const;
  bool Print_info(ostream& sout,const int level) const;   

  friend class HaQCMod;
  friend class HaLocExcit;

protected:
  list<HaAtomOrb> SubOrb;
};


#endif /* !HALOCORB_H */

---