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sc::TwoBodyTwoCenterIntV3(3)         MPQC         sc::TwoBodyTwoCenterIntV3(3)

NAME

sc::TwoBodyTwoCenterIntV3 - This implements electron repulsion integrals involving two centers in the IntV3 library.

SYNOPSIS

#include <tbintv3.h> Inherits sc::TwoBodyTwoCenterInt. Public Member Functions TwoBodyTwoCenterIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, size_t storage) int log2_shell_bound (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) 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. Protected Attributes Ref< Int2eV3 > int2ev3_ Additional Inherited Members Detailed Description This implements electron repulsion integrals involving two centers in the IntV3 library. Member Function Documentation void sc::TwoBodyTwoCenterIntV3::compute_shell (int, int) [virtual] Given four shell indices, integrals will be computed and placed in the buffer. The first index corresponds to electron 1 and the second index corresponds to electron 2. Implements sc::TwoBodyTwoCenterInt. int sc::TwoBodyTwoCenterIntV3::log2_shell_bound (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::TwoBodyTwoCenterInt. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::TwoBodyTwoCenterIntV3(3)

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