QMCPACK
BasisClass Class Referenceabstract
+ Inheritance diagram for BasisClass:
+ Collaboration diagram for BasisClass:

Public Member Functions

virtual void Set_rc (double rc)=0
 Set the cutoff radius. More...
 
double Get_rc ()
 
void SetBox (TinyVector< double, 3 > box)
 
TinyVector< double, 3 > GetBox ()
 
virtual int NumElements ()=0
 Returns the number of basis elements. More...
 
virtual double h (int n, double r)=0
 Returns the basis element n evaluated in real space at r. More...
 
virtual double c (int n, double k)=0
 Returns the basis element n evaluated in k space at k. More...
 
virtual double dc_dk (int n, double k)=0
 
double c_numerical (int n, double k)
 
 BasisClass ()
 This returns the coefficient of the nth basis function. More...
 

Public Attributes

double r_c
 
TinyVector< double, 3 > Box
 
double Omega
 

Detailed Description

Definition at line 22 of file OptimizedBreakup.h.

Constructor & Destructor Documentation

◆ BasisClass()

BasisClass ( )
inline

This returns the coefficient of the nth basis function.

This sets the coefficient of the nth basis function This returns the linear combination of the basis functions with coefficients t_n

Definition at line 51 of file OptimizedBreakup.h.

51  : r_c(0.0)
52  { /* do nothing */
53  }

Member Function Documentation

◆ c()

virtual double c ( int  n,
double  k 
)
pure virtual

Returns the basis element n evaluated in k space at k.

Implemented in LPQHI_BasisClass.

◆ c_numerical()

double c_numerical ( int  n,
double  k 
)

◆ dc_dk()

virtual double dc_dk ( int  n,
double  k 
)
pure virtual

Implemented in LPQHI_BasisClass.

◆ Get_rc()

double Get_rc ( )
inline

Definition at line 33 of file OptimizedBreakup.h.

References r_c.

33 { return r_c; }

◆ GetBox()

TinyVector< double, 3 > GetBox ( )
inline

Definition at line 87 of file OptimizedBreakup.h.

References Box.

87 { return Box; }
TinyVector< double, 3 > Box

◆ h()

virtual double h ( int  n,
double  r 
)
pure virtual

Returns the basis element n evaluated in real space at r.

Implemented in LPQHI_BasisClass.

◆ NumElements()

virtual int NumElements ( )
pure virtual

Returns the number of basis elements.

Implemented in LPQHI_BasisClass.

◆ Set_rc()

virtual void Set_rc ( double  rc)
pure virtual

Set the cutoff radius.

Implemented in LPQHI_BasisClass.

◆ SetBox()

void SetBox ( TinyVector< double, 3 >  box)
inline

Definition at line 81 of file OptimizedBreakup.h.

References Box, and Omega.

82 {
83  Box = box;
84  Omega = box[0] * box[1] * box[2];
85 }
TinyVector< double, 3 > Box

Member Data Documentation

◆ Box

TinyVector<double, 3> Box

Definition at line 27 of file OptimizedBreakup.h.

Referenced by GetBox(), and SetBox().

◆ Omega

◆ r_c

double r_c

Definition at line 26 of file OptimizedBreakup.h.

Referenced by Get_rc().


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