.TH "sc::SymRep" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*- .ad l .nh .SH NAME sc::SymRep \- The \fBSymRep\fP class provides an n dimensional matrix representation of a symmetry operation, such as a rotation or reflection\&. .SH SYNOPSIS .br .PP .PP \fC#include \fP .SS "Public Member Functions" .in +1c .ti -1c .RI "\fBSymRep\fP (int=0)" .br .ti -1c .RI "\fBSymRep\fP (const \fBSymmetryOperation\fP &)" .br .ti -1c .RI "\fBoperator SymmetryOperation\fP () const" .br .RI "Cast to a \fBSymmetryOperation\fP\&. " .ti -1c .RI "double \fBtrace\fP () const" .br .RI "returns the trace of the transformation matrix " .ti -1c .RI "void \fBset_dim\fP (int \fBi\fP)" .br .RI "set the dimension of d " .ti -1c .RI "double * \fBoperator[]\fP (int \fBi\fP)" .br .RI "returns the i'th row of the transformation matrix " .ti -1c .RI "const double * \fBoperator[]\fP (int \fBi\fP) const" .br .RI "const version of the above " .ti -1c .RI "double & \fBoperator()\fP (int \fBi\fP, int j)" .br .RI "returns a reference to the (i,j)th element of the transformation matrix " .ti -1c .RI "double \fBoperator()\fP (int \fBi\fP, int j) const" .br .RI "const version of double& \fBoperator()(int i, int j)\fP " .ti -1c .RI "void \fBzero\fP ()" .br .RI "zero out the symop " .ti -1c .RI "\fBSymRep\fP \fBoperate\fP (const \fBSymRep\fP &r) const" .br .RI "This operates on this with r (i\&.e\&. return r * this)\&. " .ti -1c .RI "\fBSymRep\fP \fBtransform\fP (const \fBSymRep\fP &r) const" .br .RI "This performs the transform r * this * r~\&. " .ti -1c .RI "void \fBunit\fP ()" .br .RI "Set equal to a unit matrix\&. " .ti -1c .RI "void \fBE\fP ()" .br .RI "Set equal to the identity\&. " .ti -1c .RI "void \fBi\fP ()" .br .RI "Set equal to an inversion\&. " .ti -1c .RI "void \fBsigma_h\fP ()" .br .RI "Set equal to reflection in xy plane\&. " .ti -1c .RI "void \fBsigma_xz\fP ()" .br .RI "Set equal to reflection in xz plane\&. " .ti -1c .RI "void \fBsigma_yz\fP ()" .br .RI "Set equal to reflection in yz plane\&. " .ti -1c .RI "void \fBrotation\fP (int n)" .br .RI "Set equal to a clockwise rotation by 2pi/n\&. " .ti -1c .RI "void \fBrotation\fP (double theta)" .br .ti -1c .RI "void \fBc2_x\fP ()" .br .RI "Set equal to C2 about the x axis\&. " .ti -1c .RI "void \fBc2_y\fP ()" .br .RI "Set equal to C2 about the x axis\&. " .ti -1c .RI "void \fBprint\fP (std::ostream &=\fBExEnv::out0\fP()) const" .br .RI "print the matrix " .in -1c .SH "Detailed Description" .PP The \fBSymRep\fP class provides an n dimensional matrix representation of a symmetry operation, such as a rotation or reflection\&. The trace of a \fBSymRep\fP can be used as the character for that symmetry operation\&. d is hardwired to 5x5 since the H irrep in Ih is 5 dimensional\&. .SH "Author" .PP Generated automatically by Doxygen for MPQC from the source code\&.