EslerCoulomb3D Struct Reference

Collaboration diagram for EslerCoulomb3D:

Public Member Functions
double	operator() (double r, double rinv) const
void	reset (ParticleSet &ref)
double	Xk (double k, double rc) const
double	Fk (double k, double rc) const
double	integrate_r2 (double r) const
double	df (double r) const
void	reset (ParticleSet &ref, double rs)

Public Attributes
double	norm

Detailed Description

Definition at line 23 of file test_temp.cpp.

Member Function Documentation

df()

double df ( double  r ) const

inline

Definition at line 31 of file test_temp.cpp.

{ return 0; }          // ignore derivatives for now

Fk()

double Fk ( double  k, double  rc  ) const

inline

Definition at line 29 of file test_temp.cpp.

References EslerCoulomb3D::Xk().

{ return -Xk(k, rc); }

integrate_r2()

double integrate_r2 ( double  r ) const

inline

Definition at line 30 of file test_temp.cpp.

{ return 0.5 * r * r; }

operator()()

double operator() ( double  r, double  rinv  ) const

inline

Definition at line 26 of file test_temp.cpp.

{ return rinv; }

reset() [1/2]

void reset ( ParticleSet &  ref )

inline

Definition at line 27 of file test_temp.cpp.

References ParticleSet::getLRBox(), and EslerCoulomb3D::norm.

{ norm = 4.0 * M_PI / ref.getLRBox().Volume; }

reset() [2/2]

void reset ( ParticleSet &  ref, double  rs  )

inline

Definition at line 32 of file test_temp.cpp.

References EslerCoulomb3D::reset().

Referenced by EslerCoulomb3D::reset().

{ reset(ref); } // ignore rs

Xk()

double Xk ( double  k, double  rc  ) const

inline

Definition at line 28 of file test_temp.cpp.

References qmcplusplus::cos(), and EslerCoulomb3D::norm.

Referenced by EslerCoulomb3D::Fk().

{ return -norm / (k * k) * std::cos(k * rc); }

Member Data Documentation

norm

double norm

Definition at line 25 of file test_temp.cpp.

Referenced by EslerCoulomb3D::reset(), and EslerCoulomb3D::Xk().

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Particle/LongRange/tests/test_temp.cpp