viperleed.calc

viperleed.calc is the Python package that makes up the core of the computational part of the ViPErLEED project. It provides a set of tools for calculating and analyzing LEED-I(V) curves for arbitrary input structures.

It is available from the Python Package Index (PyPI) and can easily be installed using pip:

pip install viperleed

The ViPErLEED Python code can also be obtained from the viperleed GitHub repository.

The viperleed.calc package is written in Python, but many core parts require the TensErLEED source code to be available. It can be downloaded from the viperleed-tensorleed GitHub repository. See the installation page for further information.

Stand-alone calculations with viperleed.calc can be executed using the command-line interface (see here).

An interface to the Atomic Simulation Environment (ASE) is also available.

You can also import the viperleed package and any of its functionality in your own Python code. See ViPErLEED Python API for more details.

• Installing tensor-LEED dependencies
• Examples
• Conventions
• How to run
• ViPErLEED work segments
• Files
• Parameters
• viperleed bookkeeper
• Utilities