symmetry-representation

The purpose of the symmetry-representation library is to describe symmetry operations in crystalline solids, and their representations. It contains functionality to automatically construct the representation matrices for specific orbitals.

Parts of the documentation

Tutorial

start here

Reference

detailed description of the classes and functions

Installation

You can install symmetry-representation with pip:

pip install symmetry-representation

Indices and tables

Index

list of all functions and classes

Module Index

list of all modules and submodules

Getting in touch

The development version of symmetry-representation is hosted on GitHub . Post an issue there or contact me directly with questions / suggestions / feedback.