.TH "sc::TwoBodyTwoCenterDerivInt" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*- .ad l .nh .SH NAME sc::TwoBodyTwoCenterDerivInt \- This is an abstract base type for classes that compute two centers integrals involving two electrons\&. .SH SYNOPSIS .br .PP .PP \fC#include \fP .PP Inherits \fBsc::RefCount\fP\&. .SS "Public Member Functions" .in +1c .ti -1c .RI "int \fBnbasis\fP () const" .br .RI "Return the number of basis functions on center one\&. " .ti -1c .RI "int \fBnbasis1\fP () const" .br .RI "Return the number of basis functions on center one\&. " .ti -1c .RI "int \fBnbasis2\fP () const" .br .RI "Return the number of basis functions on center two\&. " .ti -1c .RI "int \fBnshell\fP () const" .br .RI "Return the number of shells on center one\&. " .ti -1c .RI "int \fBnshell1\fP () const" .br .RI "Return the number of shells on center one\&. " .ti -1c .RI "int \fBnshell2\fP () const" .br .RI "Return the number of shells on center two\&. " .ti -1c .RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbasis\fP ()" .br .RI "Return the basis set on center one\&. " .ti -1c .RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbasis1\fP ()" .br .RI "Return the basis set on center one\&. " .ti -1c .RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbasis2\fP ()" .br .RI "Return the basis set on center two\&. " .ti -1c .RI "const double * \fBbuffer\fP () const" .br .RI "The computed shell integrals will be put in the buffer returned by this member\&. " .ti -1c .RI "virtual void \fBcompute_shell\fP (int, int, \fBDerivCenters\fP &)=0" .br .RI "Given for shell indices, this will cause the integral buffer to be filled in\&. " .ti -1c .RI "virtual int \fBlog2_shell_bound\fP (int=\-1, int=\-1)=0" .br .RI "Return log base 2 of the maximum magnitude of any integral in a shell block\&. " .in -1c .SS "Protected Member Functions" .in +1c .ti -1c .RI "\fBTwoBodyTwoCenterDerivInt\fP (\fBIntegral\fP *integral, const \fBRef\fP< \fBGaussianBasisSet\fP > &b1, const \fBRef\fP< \fBGaussianBasisSet\fP > &b2)" .br .in -1c .SS "Protected Attributes" .in +1c .ti -1c .RI "\fBIntegral\fP * \fBintegral_\fP" .br .ti -1c .RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbs1_\fP" .br .ti -1c .RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbs2_\fP" .br .ti -1c .RI "double * \fBbuffer_\fP" .br .in -1c .SH "Detailed Description" .PP This is an abstract base type for classes that compute two centers integrals involving two electrons\&. .SH "Member Function Documentation" .PP .SS "virtual int sc::TwoBodyTwoCenterDerivInt::log2_shell_bound (int = \fC\-1\fP, int = \fC\-1\fP)\fC [pure virtual]\fP" .PP 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\&. .br .SH "Author" .PP Generated automatically by Doxygen for MPQC from the source code\&.