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sc::TwoBodyDerivInt Class Reference This is an abstract base type for classes that compute integrals involving two electrons. More... #include <tbint.h> Inheritance diagram for sc::TwoBodyDerivInt: [legend]Collaboration diagram for sc::TwoBodyDerivInt: [legend]List of all members. Public Methods virtual  ~TwoBodyDerivInt () int  nbasis () const   Return the number of basis functions on center one. int  nshell () const   Return the number of shells on center one. Ref< GaussianBasisSet >  basis ()   Return the basis set on center one. const double *  buffer () const   The computed shell integrals will be put in the buffer returned by this member. virtual void  compute_shell (int, int, int, int, DerivCenters &)=0   Given for shell indices, this will cause the integral buffer to be filled in. virtual int  log2_shell_bound (int=-1, int=-1, int=-1, int=-1)=0   Return log base 2 of the maximum magnitude of any integral in a shell block. More... int  nbasis1 () const int  nbasis2 () const int  nbasis3 () const int  nbasis4 () const int  nshell1 () const int  nshell2 () const int  nshell3 () const int  nshell4 () const Ref< GaussianBasisSet >  basis1 () Ref< GaussianBasisSet >  basis2 () Ref< GaussianBasisSet >  basis3 () Ref< GaussianBasisSet >  basis4 () Protected Methods   TwoBodyDerivInt (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4) Protected Attributes Integral *  integral_ Ref< GaussianBasisSet >  bs1_ Ref< GaussianBasisSet >  bs2_ Ref< GaussianBasisSet >  bs3_ Ref< GaussianBasisSet >  bs4_ double *  buffer_ Detailed Description This is an abstract base type for classes that compute integrals involving two electrons. Member Function Documentation virtual int sc::TwoBodyDerivInt::log2_shell_bound (  int    = -1, int    = -1, int    = -1, int    = -1 )  [pure 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. Implemented in sc::TwoBodyDerivIntV3. The documentation for this class was generated from the following file: tbint.h