DragonFly On-Line Manual Pages

Search: Section:  


sc::TwoBodyDerivIntCCA(3)            MPQC            sc::TwoBodyDerivIntCCA(3)

NAME

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

SYNOPSIS

#include <tbintcca.h> Inherits sc::TwoBodyDerivInt. Public Member Functions TwoBodyDerivIntCCA (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. 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 () void set_integral_storage (size_t storage) int redundant () const void set_redundant (int i) Protected Attributes Ref< Int2eCCA > int2ecca_ Additional Inherited Members Detailed Description This implements two body derivative integrals through the CCA interface. Member Function Documentation void sc::TwoBodyDerivIntCCA::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::TwoBodyDerivIntCCA::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::TwoBodyDerivIntCCA(3)

Search: Section: