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sc::TwoBodyIntCCA(3)                 MPQC                 sc::TwoBodyIntCCA(3)

NAME

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

SYNOPSIS

#include <tbintcca.h> Inherits sc::TwoBodyInt. Public Member Functions TwoBodyIntCCA (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 obtained from compute_shell. void compute_shell (int, int, int, int) Given four shell indices, integrals will be computed and placed in the buffer. size_t storage_used () void set_integral_storage (size_t storage) This storage is used to cache computed integrals. int redundant () const If redundant is true, then keep redundant integrals in the buffer. void set_redundant (int i) See redundant(). Protected Attributes Ref< Int2eCCA > int2ecca_ Additional Inherited Members Detailed Description This implements two body integrals through the CCA interface. Member Function Documentation void sc::TwoBodyIntCCA::compute_shell (int, int, int, int) [virtual] Given four shell indices, integrals will be computed and placed in the buffer. The first two indices correspond to electron 1 and the second two indices correspond to electron 2. Implements sc::TwoBodyInt. int sc::TwoBodyIntCCA::log2_shell_bound (int, int, int, int) [virtual] Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell. An index of -1 for any argument indicates any shell. Implements sc::TwoBodyInt. int sc::TwoBodyIntCCA::redundant () const [inline], [virtual] If redundant is true, then keep redundant integrals in the buffer. The default is true. Reimplemented from sc::TwoBodyInt. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::TwoBodyIntCCA(3)

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