A collective of tools for the preparation of input files for ZACROS
Project description
ZacrosTools
[!WARNING]
This project is under development. The documentation is in preparation.
ZacrosTools is a simple toolkit for the preparation of Zacros input files. It is specially useful when running scans at different pressure and temperature conditions, which may require hundreds of KMC simulations.
Installation
The easiest way to install ZacrosTools is by using pip:
$ pip install zacrostools
Alternatively, it can also be cloned from GitHub:
$ git clone https://github.com/hprats/ZacrosTools.git
The only requirements are scipy and pandas.
How to use it
Please, follow this link for the documentation: https://zacrostools.readthedocs.io/en/latest/
Contributors
Hector Prats
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