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pyscal: A python module for structural analysis of atomic environments

Sarath Menon; Grisell Díaz Leines; Jutta Rogal


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  <dc:creator>Sarath Menon</dc:creator>
  <dc:creator>Grisell Díaz Leines</dc:creator>
  <dc:creator>Jutta Rogal</dc:creator>
  <dc:date>2019-10-29</dc:date>
  <dc:description>Python library written in C++ for calculation of local atomic structural environment</dc:description>
  <dc:identifier>https://zenodo.org/record/3522377</dc:identifier>
  <dc:identifier>10.5281/zenodo.3522377</dc:identifier>
  <dc:identifier>oai:zenodo.org:3522377</dc:identifier>
  <dc:relation>url:https://joss.theoj.org/papers/10.21105/joss.01824</dc:relation>
  <dc:relation>url:https://github.com/srmnitc/pyscal</dc:relation>
  <dc:relation>url:https://pyscal.com</dc:relation>
  <dc:relation>doi:10.5281/zenodo.3522376</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>http://www.opensource.org/licenses/GPL-3.0</dc:rights>
  <dc:source>Journal of Open Source Software 4(43) 1824</dc:source>
  <dc:subject>steinhardt</dc:subject>
  <dc:subject>bond-order-parameters</dc:subject>
  <dc:subject>molecular-dynamics</dc:subject>
  <dc:subject>lammps</dc:subject>
  <dc:subject>local-atomic-environment</dc:subject>
  <dc:subject>solid-state-physics</dc:subject>
  <dc:subject>order-parameters</dc:subject>
  <dc:title>pyscal: A python module for structural analysis of atomic environments</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>software</dc:type>
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