QMCPACK
Public Member Functions | Public Attributes | List of all members
EslerCoulomb3D_ForSRCOUL Struct Reference
+ Collaboration diagram for EslerCoulomb3D_ForSRCOUL:

Public Member Functions

double operator() (double r, double rinv) const
 
double Vk (double k) const
 
double dVk_dk (double k) const
 
void reset (ParticleSet &ref)
 
void reset (ParticleSet &ref, double rs)
 
double df (double r) const
 

Public Attributes

double norm
 

Detailed Description

Definition at line 23 of file test_srcoul.cpp.

Member Function Documentation

◆ df()

double df ( double  r) const
inline

Definition at line 31 of file test_srcoul.cpp.

Referenced by qmcplusplus::TEST_CASE().

31 { return -1. / (r * r); }

◆ dVk_dk()

double dVk_dk ( double  k) const
inline

Definition at line 28 of file test_srcoul.cpp.

References EslerCoulomb3D_ForSRCOUL::norm.

28 { return -2 * norm / (k * k * k); }

◆ operator()()

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

Definition at line 26 of file test_srcoul.cpp.

26 { return rinv; }

◆ reset() [1/2]

void reset ( ParticleSet &  ref)
inline

Definition at line 29 of file test_srcoul.cpp.

References ParticleSet::getLRBox(), and EslerCoulomb3D_ForSRCOUL::norm.

Referenced by qmcplusplus::TEST_CASE().

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

◆ reset() [2/2]

void reset ( ParticleSet &  ref,
double  rs 
)
inline

Definition at line 30 of file test_srcoul.cpp.

References EslerCoulomb3D_ForSRCOUL::reset().

Referenced by EslerCoulomb3D_ForSRCOUL::reset().

30 { reset(ref); } // ignore rs

◆ Vk()

double Vk ( double  k) const
inline

Definition at line 27 of file test_srcoul.cpp.

27 { return 1. / (k * k); }

Member Data Documentation

◆ norm

double norm

Definition at line 25 of file test_srcoul.cpp.

Referenced by EslerCoulomb3D_ForSRCOUL::dVk_dk(), and EslerCoulomb3D_ForSRCOUL::reset().

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