Parser for the Vienna Ab initio Simulation Package (VASP)
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Project description
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")
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