sc::SymmetryOperation(3)

✨ NAME ✨

okay so bestie, welcome to the sc::SymmetryOperation(3) page from the MPQC manual 💖

sc::SymmetryOperation — the SymmetryOperation class provides a 3 by 3 matrix representation of a symmetry operation, such as a rotation or reflection. periodt ✨

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🦋 SYNOPSIS 🦋

#include <pointgrp.h>

💖 Public Member Functions 💖

• SymmetryOperation (const SymmetryOperation &) — copy constructor vibes, no cap 🫶
• double trace () const — returns the trace of the transformation matrix ✨
• double * operator[] (int i) — returns the i'th row of the transformation matrix 👑
• const double * operator[] (int i) const — const version of the above, she's the same but with const energy 💅
• 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 the above, iconic 🙈
• void zero () — zero out the symop 💀
• SymmetryOperation operate (const SymmetryOperation &r) const — This operates on this with r (i.e. return r * this).
• SymmetryOperation transform (const SymmetryOperation &r) const — This performs the transform r * this * r~.
• void unit () — Set equal to a unit matrix.
• void E () — Set equal to E.
• 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 other rotation overload, she's serving double theta 🌈
• void c2_x () — Set equal to C2 about the x axis.
• void c2_y () — Set equal to C2 about the x axis. (yep, the page literally says x axis here, iykyk 👀)
• void transpose () — transpose, slay 🦋
• void print (std::ostream &=ExEnv::out0()) const — print the matrix 🎀

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🌸 Detailed Description 🌸

The SymmetryOperation class provides a 3 by 3 matrix representation of a symmetry operation, such as a rotation or reflection. literally the main character of point group math 💜

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🎀 Author 🎀

Generated automatically by Doxygen for MPQC from the source code. not me being auto-generated and still serving looks 💅

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bestie, this page is from MPQC Version 2.3.1, dated Sun Oct 4 2020 — that's the whole footer tea, mwah 🫶✨