.TH "sc::SpatialMOPairIter_eq" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*- .ad l .nh .SH NAME sc::SpatialMOPairIter_eq \- \fBSpatialMOPairIter_eq\fP gives the ordering of same-spin and different-spin orbital pairs if both orbitals of the pairs are from the same space\&. .SH SYNOPSIS .br .PP .PP \fC#include \fP .PP Inherits \fBsc::SpatialMOPairIter\fP\&. .SS "Public Member Functions" .in +1c .ti -1c .RI "\fBSpatialMOPairIter_eq\fP (const \fBRef\fP< \fBMOIndexSpace\fP > &space1)" .br .RI "Initialize an iterator for the given MO spaces\&. " .ti -1c .RI "void \fBstart\fP (const int ij_offset=0)" .br .RI "Initialize the iterator assuming that iteration will start with pair ij_offset\&. " .ti -1c .RI "void \fBnext\fP ()" .br .RI "Move to the next pair\&. " .ti -1c .RI "\fBoperator int\fP () const" .br .RI "Returns nonzero if the iterator currently hold valid data\&. " .ti -1c .RI "int \fBnij_aa\fP () const" .br .RI "Returns the number of functions in alpha-alpha space\&. " .ti -1c .RI "int \fBnij_ab\fP () const" .br .RI "Returns the number of functions in alpha-beta space\&. " .ti -1c .RI "int \fBij_aa\fP () const" .br .RI "Returns compound index ij for alpha-alpha case\&. " .ti -1c .RI "int \fBij_ab\fP () const" .br .RI "Returns compound index ij for alpha-beta case\&. " .ti -1c .RI "int \fBij_ba\fP () const" .br .RI "Returns compound index ij for beta-alpha case\&. " .in -1c .SS "Additional Inherited Members" .SH "Detailed Description" .PP \fBSpatialMOPairIter_eq\fP gives the ordering of same-spin and different-spin orbital pairs if both orbitals of the pairs are from the same space\&. It iterates over all i >= j combinations (total of (ni_+1)*(ni_+2)/2 pairs)\&. .SH "Member Function Documentation" .PP .SS "int sc::SpatialMOPairIter_eq::ij_aa () const\fC [inline]\fP, \fC [virtual]\fP" .PP Returns compound index ij for alpha-alpha case\&. The i == j combination doesn't make sense, so \fBij_aa()\fP will return -1 for such pairs\&. .PP Implements \fBsc::SpatialMOPairIter\fP\&. .SH "Author" .PP Generated automatically by Doxygen for MPQC from the source code\&.