LobsterPy documentation#
Date: Nov 18, 2024
Useful links: Github Repository | PyPI | Issues & Ideas |
LobsterPy is a package that enables automatic analysis of LOBTSER outputs to get summarized bonding information and relevant bond plots. Additionally, one can also generate features for machine learning studies from LOBSTER outputs.
Fundamental Aspects
This guide contains a detailed explanation of the key functionalites on which LobsterPy automatic analysis is based on.
User Guide
This guide provides in-depth information for getting started and tutorials for LobsterPy.
LOBSTER Workflow
Here you can find how to use our completely automated workflow to perform bonding analysis with LOBSTER and Lobsterpy via atomate2.
Developer guide
Do you want contribute or improve existing functionalities? Check out the developer guide.