sc::IrreducibleRepresentation(3)

💅 NAME 💅 — sc::IrreducibleRepresentation(3), MPQC manual

okay bestie, this is sc::IrreducibleRepresentation from the MPQC manual, and it's the class that provides information associated with a particular irreducible representation of a point group. That's the whole vibe. 💖

✨ SYNOPSIS ✨

#include <pointgrp.h>

🌸 Public Member Functions 🌸

• IrreducibleRepresentation (const IrreducibleRepresentation &) — the copy constructor, taking a const IrreducibleRepresentation &.
• IrreducibleRepresentation (int, int, const char *, const char *=0) — this constructor takes as arguments the order of the point group, the degeneracy of the irrep, and the Mulliken symbol of the irrep. The Mulliken symbol is copied internally.
• IrreducibleRepresentation & operator= (const IrreducibleRepresentation &) — the assignment operator, taking a const IrreducibleRepresentation &.
• void init (int=0, int=0, const char *=0, const char *=0) — initialize the order, degeneracy, and Mulliken symbol of the irrep. ✨
• int order () const — returns the order of the group.
• int degeneracy () const — returns the degeneracy of the irrep.
• int complex () const — returns the value of complex_.
• int nproj () const — returns the number of projection operators for the irrep.
• int nrot () const — returns the number of rotations associated with the irrep.
• int ntrans () const — returns the number of translations associated with the irrep.
• const char * symbol () const — returns the Mulliken symbol for the irrep.
• const char * symbol_ns () const — returns the Mulliken symbol for the irrep without special characters.
• double character (int i) const — returns the character for the i'th symmetry operation of the point group.
• double p (int x1, int x2, int i) const — returns the element (x1,x2) of the i'th representation matrix.
• double p (int d, int i) const — returns the character for the d'th contribution to the i'th representation matrix.
• void print (std::ostream &=ExEnv::out0()) const — this prints the irrep to the given file, or stdout if none is given.

🫶 Friends 🫶

• class CharacterTable — friend class. iykyk. 💅

📚 Detailed Description 📚

The IrreducibleRepresentation class provides information associated with a particular irreducible representation of a point group.

This includes the Mulliken symbol for the irrep, the degeneracy of the irrep, the characters which represent the irrep, and the number of translations and rotations in the irrep. The order of the point group is also provided — and bestie, that's equal to the number of characters in an irrep. 💖

🛠️ Constructor & Destructor Documentation 🛠️

sc::IrreducibleRepresentation::IrreducibleRepresentation (int, int, const char *, const char * = 0)

This constructor takes as arguments the order of the point group, the degeneracy of the irrep, and the Mulliken symbol of the irrep. The Mulliken symbol is copied internally. 🎀

🧁 Member Function Documentation 🧁

void sc::IrreducibleRepresentation::print (std::ostream & = ExEnv::out0()) const

This prints the irrep to the given file, or stdout if none is given. The second argument is an optional string of spaces to offset by. 🖨️✨

👑 Author 👑

Generated automatically by Doxygen for MPQC from the source code.

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xoxo, bestie 💖 this iconic page is from MPQC, version 2.3.1, dated Sun Oct 4 2020, and it's all about sc::IrreducibleRepresentation(3). byeee! 🦋🌸