psi::ObaraSaikaTwoCenterRecursion Class Reference
[libmints: Integral library]

Generic Obara and Saika recursion object. More...

#include <osrecur.h>

List of all members.

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

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Detailed Description

Generic Obara and Saika recursion object.

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Constructor & Destructor Documentation

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.

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

• libmints/osrecur.h
• libmints/osrecur.cc