.TH "sc::OneBodyInt" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*- .ad l .nh .SH NAME sc::OneBodyInt \- \fBOneBodyInt\fP is an abstract base class for objects that compute integrals between two basis functions\&. .SH SYNOPSIS .br .PP .PP \fC#include \fP .PP Inherits \fBsc::RefCount\fP\&. .PP Inherited by \fBsc::DipoleIntV3\fP, \fBsc::EfieldDotVectorIntV3\fP, \fBsc::OneBodyIntCCA\fP, \fBsc::OneBodyIntCints\fP, \fBsc::OneBodyIntV3\fP, and \fBsc::PointChargeIntV3\fP\&. .SS "Public Member Functions" .in +1c .ti -1c .RI "int \fBnbasis\fP () const" .br .RI "Returns the number of basis functions on center one\&. " .ti -1c .RI "int \fBnbasis1\fP () const" .br .RI "Returns the number of basis functions on the center one\&. " .ti -1c .RI "int \fBnbasis2\fP () const" .br .RI "Returns the number of basis functions on the 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 the center one\&. " .ti -1c .RI "int \fBnshell2\fP () const" .br .RI "Return the number of shells on the 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 the center one\&. " .ti -1c .RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbasis2\fP ()" .br .RI "Return the basis set on the center two\&. " .ti -1c .RI "const double * \fBbuffer\fP () const" .br .RI "Returns the buffer where the integrals are placed\&. " .ti -1c .RI "virtual void \fBcompute_shell\fP (int, int)=0" .br .RI "Computes the integrals between basis functions in the given shell pair\&. " .ti -1c .RI "virtual void \fBreinitialize\fP ()" .br .RI "This is called for one body integrals that take data to let them know that the data they reference has changed\&. " .ti -1c .RI "virtual bool \fBcloneable\fP ()" .br .RI "Return true if the clone member can be called\&. " .ti -1c .RI "virtual \fBRef\fP< \fBOneBodyInt\fP > \fBclone\fP ()" .br .RI "Returns a clone of this\&. " .ti -1c .RI "\fBIntegral\fP * \fBintegral\fP () const" .br .in -1c .SS "Protected Member Functions" .in +1c .ti -1c .RI "\fBOneBodyInt\fP (\fBIntegral\fP *integral, const \fBRef\fP< \fBGaussianBasisSet\fP > &b1, const \fBRef\fP< \fBGaussianBasisSet\fP > &b2=0)" .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 \fBOneBodyInt\fP is an abstract base class for objects that compute integrals between two basis functions\&. .SH "Member Function Documentation" .PP .SS "virtual \fBRef\fP<\fBOneBodyInt\fP> sc::OneBodyInt::clone ()\fC [virtual]\fP" .PP Returns a clone of this\&. The default implementation throws an exception\&. .PP Reimplemented in \fBsc::OneBodyIntV3\fP, \fBsc::OneBodyIntCCA\fP, and \fBsc::OneBodyIntCints\fP\&. .SS "virtual bool sc::OneBodyInt::cloneable ()\fC [virtual]\fP" .PP Return true if the clone member can be called\&. The default implementation returns false\&. .PP Reimplemented in \fBsc::OneBodyIntV3\fP, \fBsc::OneBodyIntCCA\fP, and \fBsc::OneBodyIntCints\fP\&. .SH "Author" .PP Generated automatically by Doxygen for MPQC from the source code\&.