Psi4
Public Member Functions | Private Member Functions | Private Attributes | List of all members
psi::ObaraSaikaTwoCenterRecursion Class Reference

Generic Obara and Saika recursion object. More...

#include <osrecur.h>

Public Member Functions

 ObaraSaikaTwoCenterRecursion (int max_am1, int max_am2)
 
 ~ObaraSaikaTwoCenterRecursion ()
 
double ** x () const
 Returns the x recursion matrix. More...
 
double ** y () const
 Returns the y recursion matrix. More...
 
double ** z () const
 Returns the z recursion matrix. More...
 
void compute (double PA[3], double PB[3], double gamma, int am1, int am2)
 Computes the recursion matrices for the data provided. More...
 

Private Member Functions

 ObaraSaikaTwoCenterRecursion ()
 
ObaraSaikaTwoCenterRecursionoperator= (const ObaraSaikaTwoCenterRecursion &)
 

Private Attributes

int max_am1_
 
int max_am2_
 
double ** x_
 
double ** y_
 
double ** z_
 

Detailed Description

Generic Obara and Saika recursion object.

Constructor & Destructor Documentation

psi::ObaraSaikaTwoCenterRecursion::ObaraSaikaTwoCenterRecursion ( )
private
ObaraSaikaTwoCenterRecursion::ObaraSaikaTwoCenterRecursion ( int  max_am1,
int  max_am2 
)

Constructor, max_am1 and max_am2 are the max angular momentum on center 1 and 2. Needed to allocate enough memory.

ObaraSaikaTwoCenterRecursion::~ObaraSaikaTwoCenterRecursion ( )

Member Function Documentation

void ObaraSaikaTwoCenterRecursion::compute ( double  PA[3],
double  PB[3],
double  gamma,
int  am1,
int  am2 
)

Computes the recursion matrices for the data provided.

ObaraSaikaTwoCenterRecursion& psi::ObaraSaikaTwoCenterRecursion::operator= ( const ObaraSaikaTwoCenterRecursion )
private
double** psi::ObaraSaikaTwoCenterRecursion::x ( ) const
inline

Returns the x recursion matrix.

double** psi::ObaraSaikaTwoCenterRecursion::y ( ) const
inline

Returns the y recursion matrix.

double** psi::ObaraSaikaTwoCenterRecursion::z ( ) const
inline

Returns the z recursion matrix.

Member Data Documentation

int psi::ObaraSaikaTwoCenterRecursion::max_am1_
private
int psi::ObaraSaikaTwoCenterRecursion::max_am2_
private
double** psi::ObaraSaikaTwoCenterRecursion::x_
private
double** psi::ObaraSaikaTwoCenterRecursion::y_
private
double** psi::ObaraSaikaTwoCenterRecursion::z_
private

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