RealSphericalHarmonic.hpp

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 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
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 * work.  Good starting points are:
 *
 * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
 * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
 * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
 * [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 * [5] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
 * [6] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
 * [7] Lamichhane, Newman & Gezelter, J. Chem. Phys. 141, 134110 (2014).
 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
 */
 
/**
 * @file RealSphericalHarmonic.hpp
 * @author Dan Gezelter
 * @date 10/18/2004
 * @version 1.0
 */
 
#ifndef MATH_REALSPHERICALHARMONIC_HPP
#define MATH_REALSPHERICALHARMONIC_HPP
 
#include <config.h>
 
#include <cstring>
#define RSH_SIN 0
#define RSH_COS 1
 
namespace OpenMD {
  class RealSphericalHarmonic {
  public:
    RealSphericalHarmonic();
    virtual ~RealSphericalHarmonic() {}
 
    void setL(int theL) { L = theL; };
    int getL() { return L; }
 
    void setM(int theM) { M = theM; };
    int getM() { return M; }
 
    void setCoefficient(RealType co) { coefficient = co; }
    RealType getCoefficient() { return coefficient; }
 
    void setFunctionType(short int theType) { functionType = theType; }
    short int getFunctionType() { return functionType; }
 
    void makeSinFunction() { functionType = RSH_SIN; }
    void makeCosFunction() { functionType = RSH_COS; }
 
    bool isSinFunction() { return functionType == RSH_SIN ? true : false; }
    bool isCosFunction() { return functionType == RSH_COS ? true : false; }
 
    RealType getValueAt(RealType costheta, RealType phi);
 
  protected:
    RealType LegendreP(int l, int m, RealType x);
 
    int L;
    int M;
    short int functionType;
    RealType coefficient;
  };
}  // namespace OpenMD
 
#endif