sc::SymRep(3)

💅 sc::SymRep(3) — the MPQC manual, bestie edition 🎀

okay so this is a page out of the MPQC manual set (it's sc::SymRep(3), if you're keeping track), and honestly? it's kind of a baddie. let's get into it.

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✨ NAME ✨

sc::SymRep — the SymRep class provides an n dimensional matrix representation of a symmetry operation, such as a rotation or reflection. that's the whole vibe. it's literally a matrix that is a rotation or a reflection. iconic behavior.

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🌸 SYNOPSIS 🌸

#include <pointgrp.h>

🦋 Public Member Functions 🦋

• SymRep (int=0) — constructor, defaulting the int to 0.
• SymRep (const SymmetryOperation &) — constructor from a SymmetryOperation.
• operator SymmetryOperation () const — cast to a SymmetryOperation.
• double trace () const — returns the trace of the transformation matrix. (this is the character, more on that below 👀)
• void set_dim (int i) — set the dimension of d.
• double * operator[] (int i) — returns the i'th row of the transformation matrix.
• const double * operator[] (int i) const — const version of the above.
• double & operator() (int i, int j) — returns a reference to the (i,j)th element of the transformation matrix.
• double operator() (int i, int j) const — const version of double& operator()(int i, int j).
• void zero () — zero out the symop.
• SymRep operate (const SymRep &r) const — this operates on this with r (i.e. return r * this).
• SymRep transform (const SymRep &r) const — this performs the transform r * this * r~.
• void unit () — set equal to a unit matrix.
• void E () — set equal to the identity.
• void i () — set equal to an inversion.
• void sigma_h () — set equal to reflection in xy plane.
• void sigma_xz () — set equal to reflection in xz plane.
• void sigma_yz () — set equal to reflection in yz plane.
• void rotation (int n) — set equal to a clockwise rotation by 2pi/n.
• void rotation (double theta) — the double-flavored rotation overload. 🌀
• void c2_x () — set equal to C2 about the x axis.
• void c2_y () — set equal to C2 about the x axis. (yes, that's what the original says — c2_y but the text says x axis. no cap, that's verbatim. don't come for me 🙈)
• void print (std::ostream &=ExEnv::out0()) const — print the matrix. default stream is ExEnv::out0().

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💖 Detailed Description 💖

The SymRep class provides an n dimensional matrix representation of a symmetry operation, such as a rotation or reflection.

The trace of a SymRep can be used as the character for that symmetry operation. d is hardwired to 5x5 since the H irrep in Ih is 5 dimensional. so yeah, that's not a setting, that's just how she is. periodt.

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👑 Author 👑

Generated automatically by Doxygen for MPQC from the source code. (so if the prose is a little stiff, blame Doxygen, not me 💀)

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🌈 the cute sign-off 🌈

this is Version 2.3.1, dated Sun Oct 4 2020, living on the sc::SymRep(3) page of the MPQC manual. take care of her, she's doing her best 🫶✨