A collective of tools for the preparation of input files for ZACROS
Project description
ZacrosTools
ZacrosTools is a versatile toolkit designed to simplify the preparation of Zacros input files and the reading of Zacros output files. It is especially useful for performing pressure and temperature scans, which often require the generation of numerous input files and the processing of extensive output data.
Changelog
You can view the full list of changes in CHANGELOG.md.
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
For detailed usage instructions, please visit the ZacrosTools Documentation.
Contributors
Hector Prats
Project details
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