pyiron_vasp

Parser for the Vienna Ab initio Simulation Package (VASP)

Installation

Via pip

pip install pyiron_vasp

Via conda

conda install -c conda-forge pyiron_vasp

Usage

Parse an directory with VASP output files

from pyiron_vasp.vasp.output import parse_vasp_output

output_dict = parse_vasp_output(working_directory="path/to/calculation")