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sc::TwoBodyDerivIntV3(3)             MPQC             sc::TwoBodyDerivIntV3(3)

NAME

sc::TwoBodyDerivIntV3 - This implements electron repulsion derivative integrals in the IntV3 library.

SYNOPSIS

#include <tbintv3.h> Inherits sc::TwoBodyDerivInt. Public Member Functions TwoBodyDerivIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage) 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 () Protected Attributes Ref< Int2eV3 > int2ev3_ Additional Inherited Members Detailed Description This implements electron repulsion derivative integrals in the IntV3 library. Member Function Documentation void sc::TwoBodyDerivIntV3::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::TwoBodyDerivIntV3::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. Version 2.3.1 Fri Feb 19 2016 sc::TwoBodyDerivIntV3(3)

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