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sc::TwoBodyThreeCenterIntV3(3)       MPQC       sc::TwoBodyThreeCenterIntV3(3)

NAME

sc::TwoBodyThreeCenterIntV3 - This implements electron repulsion integrals involving three centers in the IntV3 library.

SYNOPSIS

#include <tbintv3.h> Inherits sc::TwoBodyThreeCenterInt. Public Member Functions TwoBodyThreeCenterIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, size_t storage) int log2_shell_bound (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) Given three 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 three centers in the IntV3 library. Member Function Documentation void sc::TwoBodyThreeCenterIntV3::compute_shell (int, int, int) [virtual] Given three shell indices, integrals will be computed and placed in the buffer. The first two indices correspond to electron 1 and the second index corresponds to electron 2. Implements sc::TwoBodyThreeCenterInt. int sc::TwoBodyThreeCenterIntV3::log2_shell_bound (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::TwoBodyThreeCenterInt. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::TwoBodyThreeCenterIntV3(3)

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