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Man Pages


Manual Reference Pages  -  SC_TWOBODYDERIVINTCCA (3)

NAME

sc::TwoBodyDerivIntCCA - This implements two body derivative integrals through the CCA interface.

CONTENTS

Synopsis

SYNOPSIS

#include <tbintcca.h>

Inherits sc::TwoBodyDerivInt.

    Public Member Functions

    TwoBodyDerivIntCCA (Integral *, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, IntegralEvaluatorFactory, bool, string)    
int log2_shell_bound (int, int, int, int)
Return log base 2 of the maximum magnitude of any integral in a shell block.     void compute_shell (int, int, int, int, DerivCenters &)
Given for shell indices, this will cause the integral buffer to be filled in.     size_t storage_used ()    
void set_integral_storage (size_t storage)    
int redundant () const    
void set_redundant (int i)

    Protected Attributes

    Ref< Int2eCCA > int2ecca_

    Additional Inherited Members

Detailed Description

This implements two body derivative integrals through the CCA interface.

Member Function Documentation

void sc::TwoBodyDerivIntCCA::compute_shell (int, int, int, int, DerivCenters &) [virtual]

Given for shell indices, this will cause the integral buffer to be filled in.

Implements sc::TwoBodyDerivInt.

int sc::TwoBodyDerivIntCCA::log2_shell_bound (int, int, int, int) [virtual]

Return log base 2 of the maximum magnitude of any integral in a shell block. An index of -1 for any argument indicates any shell.

Implements sc::TwoBodyDerivInt.

Author

Generated automatically by Doxygen for MPQC from the source code.

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Version 2.3.1 SC::TWOBODYDERIVINTCCA (3) Sun Apr 3 2016

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