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sc::TwoBodyIntCints(3)               MPQC               sc::TwoBodyIntCints(3)

NAME

sc::TwoBodyIntCints - This implements electron repulsion integrals in the IntCints library.

SYNOPSIS

#include <tbintcints.h> Inherits sc::TwoBodyInt. Public Member Functions TwoBodyIntCints (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, tbinteval int2etype) 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 used_storage () const void set_integral_storage (size_t storage) This storage is used to cache computed integrals. const double * buffer (tbint_type te_type) const The computed shell integrals will be put in the buffer returned by this member. Protected Attributes Ref< Int2eCints > int2ecints_ Additional Inherited Members Detailed Description This implements electron repulsion integrals in the IntCints library. Member Function Documentation const double* sc::TwoBodyIntCints::buffer (tbint_type type) const [inline], [virtual] The computed shell integrals will be put in the buffer returned by this member. Some TwoBodyInt specializations have more than one buffer: The type arguments selects which buffer is returned. If the requested type is not supported, then 0 is returned. Reimplemented from sc::TwoBodyInt. void sc::TwoBodyIntCints::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::TwoBodyIntCints::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. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::TwoBodyIntCints(3)

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