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srmnitc/pyscal: Introduce cell lists

Sarath Menon; rogalj; Daniel S. Katz


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  <identifier identifierType="DOI">10.5281/zenodo.3531549</identifier>
  <creators>
    <creator>
      <creatorName>Sarath Menon</creatorName>
      <affiliation>Ruhr University Bochum</affiliation>
    </creator>
    <creator>
      <creatorName>rogalj</creatorName>
    </creator>
    <creator>
      <creatorName>Daniel S. Katz</creatorName>
      <affiliation>UIUC</affiliation>
    </creator>
  </creators>
  <titles>
    <title>srmnitc/pyscal: Introduce cell lists</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2019</publicationYear>
  <dates>
    <date dateType="Issued">2019-11-07</date>
  </dates>
  <resourceType resourceTypeGeneral="Software"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/3531549</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsSupplementTo">https://github.com/srmnitc/pyscal/tree/2.2.1</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.3522376</relatedIdentifier>
  </relatedIdentifiers>
  <version>2.2.1</version>
  <rightsList>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;This release contains further updates to the code including the ability to calculate solid atoms based on any q parameters, calculation of chi parameters and introduction of cell lists for improved speed in neighbor calculation.&lt;/p&gt;</description>
  </descriptions>
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