PyQCstrc: python library for quasi-crystal structure

Introduction

PyQCstrc is a Python library for quasicrystal structure. It provides tools commonly used to build initial structure of quasicrystals, which includes translation and symmetry operations in the nD (n = 5 or 6) space, and intersection operations on occupation domains in (n-3)D space, perpendicular to 3D physical space.

PyQCstrc supports export and import of the occupation domains: the occupation domains can be exported in VESTA format (.vesta) and XYZ format (.xyz), and these can be visualized by utilizing VESTA (Momma & Izumi, 2011, J. Appl. Crystallogr., 44, 1272-1276.). The latter can be imported so that users can recall their occupation domains in Python scripts.

Basic usage of the PyQCstrc is described by providing Python scripts to obtain a rhombic icosahedron occupation domain. See Examples.

Changelog

See the full Changelog

License

The PyQCstrc library is distributed with a MIT license. See https://opensource.org/licenses/mit-license.php

Installation

Installation

Examples

Examples: Basic usage of the PyQCstrc is described by providing some Python scripts.

API Documentation

API Reference: Documentation of modules included in PyQCstrc