class to evaluate the normalization factors for the Slater-Type orbitals More...

Collaboration diagram for STONorm< T >:

Public Member Functions
	STONorm (int nmax=1)

void	set (int nmax)

T	operator() (int n, T screen)

Public Attributes
std::vector< T >	Factorial

Detailed Description

template<class T>
struct STONorm< T >

class to evaluate the normalization factors for the Slater-Type orbitals

Definition at line 22 of file SlaterTypeOrbital.h.

Constructor & Destructor Documentation

◆ STONorm()

STONorm ( int nmax = 1 )

inlineexplicit

Definition at line 27 of file SlaterTypeOrbital.h.

27 { set(nmax); }

Member Function Documentation

◆ operator()()

T operator()	(	int	n,
		T	screen
	)

inline

Definition at line 38 of file SlaterTypeOrbital.h.

References STONorm< T >::Factorial, qmcplusplus::n, qmcplusplus::pow(), and qmcplusplus::sqrt().

   {
     return 1.0 / sqrt(Factorial[2 * n + 2] / pow(2.0 * screen, 2 * n + 3));
     //return
     //  1.0/sqrt(Factorial[2*n+2]*4.0*(4.0*atan(1.0))/pow(2.0*screen,2*n+3));
   }

◆ set()

void set ( int nmax )

inline

Definition at line 29 of file SlaterTypeOrbital.h.

References STONorm< T >::Factorial, and qmcplusplus::n.

   {
     int n = 2 * nmax + 2;
     Factorial.resize(n + 1);
     Factorial[0] = 1.0;
     for (int i = 1; i < n + 1; i++)
       Factorial[i] = Factorial[i - 1] * static_cast<T>(i);
   }

Member Data Documentation

◆ Factorial

std::vector<T> Factorial

Definition at line 24 of file SlaterTypeOrbital.h.

Referenced by STONorm< T >::operator()(), and STONorm< T >::set().

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

/home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Numerics/SlaterTypeOrbital.h

Public Member Functions

Public Attributes