PyExtal is a Python package designed for the quantitative simulation and analysis of electron diffraction data, particularly for convergent beam electron diffraction (CBED) and large angle rocking beam electron diffraction (LARBED) patterns.
Full documentation is available at:
👉 https://swampni.github.io/bloch-python/
Currently, PyExtal only supports Python 3.11 on Linux. It is tested on WSL2 with Ubuntu 22.02.
Install using conda (installing in a virtual environment is highly recommended):
conda install hcni2::pyextalIf you don't have conda installed, you can install Miniconda by following the instructions at Miniconda Installation.
To create a new conda environment and install PyExtal, you can use the following commands:
conda create -n pyextal python=3.11
conda activate pyextal
conda install hcni2::pyextalCheck out the example notebook
Check out the example notebook
This repository contains a Python package designed to interact with a high-performance computational engine. It is important to understand the distinct licensing terms that apply to different parts of this project:
Python Package (Source Code): All Python source code within this repository is licensed under the Mozilla Public License, Version 2.0 (MPL 2.0).
Bloch Engine (Proprietary Binary): The core computational engine, provided as a pre-compiled shared library (e.g., .so file), is proprietary software by EMLab Solutions, Inc. It is not open-sourced under the MPL 2.0 or any other open-source license. Its use is governed by a separate, proprietary license agreement, which will be provided alongside the binary