GaussianTimesRN< T >::BasicGaussian Struct Reference

Collaboration diagram for GaussianTimesRN< T >::BasicGaussian:

Public Member Functions
	BasicGaussian (real_type sig=1.0, real_type c=1.0, int p=0)
void	resetGaussian (real_type sig, real_type c, int p)
void	reset ()
void	setgrid (real_type r)
real_type	f (real_type r, real_type rr)
real_type	df (real_type r, real_type rr)
real_type	evaluate (real_type r, real_type rr, real_type &du, real_type &d2u)

Public Attributes
real_type	Sigma
real_type	Coeff
int	Power
real_type	MinusSigma
real_type	CoeffP
real_type	CoeffPP
real_type	PowerC

Detailed Description

template<class T>
struct qmcplusplus::GaussianTimesRN< T >::BasicGaussian

Definition at line 31 of file GaussianTimesRN.h.

Constructor & Destructor Documentation

BasicGaussian()

BasicGaussian ( real_type  sig = 1.0, real_type  c = 1.0, int  p = 0  )

inline

Definition at line 43 of file GaussianTimesRN.h.

References GaussianTimesRN< T >::BasicGaussian::reset().

                                                                            : Sigma(sig), Coeff(c), Power(p)
    {
      reset();
    }

Member Function Documentation

df()

real_type df ( real_type  r, real_type  rr  )

inline

Definition at line 76 of file GaussianTimesRN.h.

References GaussianTimesRN< T >::BasicGaussian::Coeff, GaussianTimesRN< T >::BasicGaussian::CoeffP, qmcplusplus::exp(), GaussianTimesRN< T >::BasicGaussian::MinusSigma, qmcplusplus::pow(), GaussianTimesRN< T >::BasicGaussian::Power, and GaussianTimesRN< T >::BasicGaussian::PowerC.

    {
      if (Power == 0)
        return CoeffP * r * std::exp(MinusSigma * rr);
      else if (Power == 1)
        return (Coeff + CoeffP * r) * std::exp(MinusSigma * rr);
      else
      {
        return std::pow(r, Power - 1) * (PowerC + CoeffP * rr) * std::exp(MinusSigma * rr);
      }
    }

evaluate()

real_type evaluate ( real_type  r, real_type  rr, real_type &  du, real_type &  d2u  )

inline

Definition at line 88 of file GaussianTimesRN.h.

References GaussianTimesRN< T >::BasicGaussian::Coeff, GaussianTimesRN< T >::BasicGaussian::CoeffP, GaussianTimesRN< T >::BasicGaussian::CoeffPP, qmcplusplus::exp(), GaussianTimesRN< T >::BasicGaussian::MinusSigma, qmcplusplus::pow(), and GaussianTimesRN< T >::BasicGaussian::Power.

    {
      T v = std::exp(MinusSigma * rr);
      if (Power == 0)
      {
        du += CoeffP * r * v;
        d2u += (CoeffP + CoeffPP * rr) * v;
        return Coeff * v;
      }
      else
      {
        return std::pow(r, Power) * Coeff * v;
      }
    }

f()

real_type f ( real_type  r, real_type  rr  )

inline

Definition at line 66 of file GaussianTimesRN.h.

References GaussianTimesRN< T >::BasicGaussian::Coeff, qmcplusplus::exp(), GaussianTimesRN< T >::BasicGaussian::MinusSigma, qmcplusplus::pow(), and GaussianTimesRN< T >::BasicGaussian::Power.

    {
      if (Power == 0)
        return Coeff * std::exp(MinusSigma * rr);
      else if (Power == 1)
        return r * Coeff * std::exp(MinusSigma * rr);
      else
        return std::pow(r, Power) * Coeff * std::exp(MinusSigma * rr);
    }

reset()

void reset ( )

inline

Definition at line 56 of file GaussianTimesRN.h.

References GaussianTimesRN< T >::BasicGaussian::Coeff, GaussianTimesRN< T >::BasicGaussian::CoeffP, GaussianTimesRN< T >::BasicGaussian::CoeffPP, GaussianTimesRN< T >::BasicGaussian::MinusSigma, GaussianTimesRN< T >::BasicGaussian::Power, GaussianTimesRN< T >::BasicGaussian::PowerC, and GaussianTimesRN< T >::BasicGaussian::Sigma.

Referenced by GaussianTimesRN< T >::BasicGaussian::BasicGaussian(), and GaussianTimesRN< T >::BasicGaussian::resetGaussian().

    {
      MinusSigma = -Sigma;
      CoeffP     = -2.0 * Sigma * Coeff;
      CoeffPP    = 4.0 * Sigma * Sigma * Coeff;
      PowerC     = static_cast<T>(Power) * Coeff;
    }

resetGaussian()

void resetGaussian ( real_type  sig, real_type  c, int  p  )

inline

Definition at line 48 of file GaussianTimesRN.h.

References GaussianTimesRN< T >::BasicGaussian::Coeff, GaussianTimesRN< T >::BasicGaussian::Power, GaussianTimesRN< T >::BasicGaussian::reset(), and GaussianTimesRN< T >::BasicGaussian::Sigma.

    {
      Sigma = sig;
      Coeff = c;
      Power = p;
      reset();
    }

setgrid()

void setgrid ( real_type  r )

inline

Definition at line 64 of file GaussianTimesRN.h.

{}

Member Data Documentation

Coeff

real_type Coeff

Definition at line 34 of file GaussianTimesRN.h.

Referenced by GaussianTimesRN< T >::BasicGaussian::df(), GaussianTimesRN< T >::BasicGaussian::evaluate(), GaussianTimesRN< T >::BasicGaussian::f(), GaussianTimesRN< T >::BasicGaussian::reset(), and GaussianTimesRN< T >::BasicGaussian::resetGaussian().

CoeffP

real_type CoeffP

Definition at line 38 of file GaussianTimesRN.h.

Referenced by GaussianTimesRN< T >::BasicGaussian::df(), GaussianTimesRN< T >::BasicGaussian::evaluate(), and GaussianTimesRN< T >::BasicGaussian::reset().

CoeffPP

real_type CoeffPP

Definition at line 39 of file GaussianTimesRN.h.

Referenced by GaussianTimesRN< T >::BasicGaussian::evaluate(), and GaussianTimesRN< T >::BasicGaussian::reset().

MinusSigma

real_type MinusSigma

Definition at line 37 of file GaussianTimesRN.h.

Referenced by GaussianTimesRN< T >::BasicGaussian::df(), GaussianTimesRN< T >::BasicGaussian::evaluate(), GaussianTimesRN< T >::BasicGaussian::f(), and GaussianTimesRN< T >::BasicGaussian::reset().

Power

int Power

Definition at line 35 of file GaussianTimesRN.h.

Referenced by GaussianTimesRN< T >::BasicGaussian::df(), GaussianTimesRN< T >::BasicGaussian::evaluate(), GaussianTimesRN< T >::BasicGaussian::f(), GaussianTimesRN< T >::BasicGaussian::reset(), and GaussianTimesRN< T >::BasicGaussian::resetGaussian().

PowerC

real_type PowerC

Definition at line 40 of file GaussianTimesRN.h.

Referenced by GaussianTimesRN< T >::BasicGaussian::df(), and GaussianTimesRN< T >::BasicGaussian::reset().

Sigma

real_type Sigma

Definition at line 33 of file GaussianTimesRN.h.

Referenced by GaussianTimesRN< T >::BasicGaussian::reset(), and GaussianTimesRN< T >::BasicGaussian::resetGaussian().

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The documentation for this struct was generated from the following file:

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Numerics/GaussianTimesRN.h