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Published October 29, 2019 | Version 2.0.1
Software Open

pyscal: A python module for structural analysis of atomic environments

Creators

  • 1. Interdisciplinary Centre for Advanced Materials Simulation, Ruhr-Universität Bochum

Description

Python library written in C++ for calculation of local atomic structural environment

Files

srmnitc/pyscal-2.0.1.zip

Files (2.7 MB)

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md5:3897cd36e3500ae26089f96b4a437f5f
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Additional details

Related works

Has part
Journal article: https://joss.theoj.org/papers/10.21105/joss.01824 (URL)
Is derived from
Software: https://github.com/srmnitc/pyscal (URL)
Is documented by
Software documentation: https://pyscal.com (URL)