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openforcefield/openforcefields: Version 1.1.1 "Parsley"

Jang, Hyesu; Maat, Jessica; Qiu, Yudong; Smith, Daniel G.A.; Boothroyd, Simon; Wagner, Jeffrey; Bannan, Caitlin C.; Dotson, David; Gokey, Trevor; Lim, Victoria T.; Lucas, Xavier; Tjanaka, Bryon; Shirts, Michael R.; Gilson, Michael K.; Chodera, John D.; Bayly, Christopher I.; Mobley, David L.; Wang, Lee-Ping


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  <identifier identifierType="DOI">10.5281/zenodo.3751818</identifier>
  <creators>
    <creator>
      <creatorName>Jang, Hyesu</creatorName>
      <givenName>Hyesu</givenName>
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      <affiliation>@openforcefield</affiliation>
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    <creator>
      <creatorName>Maat, Jessica</creatorName>
      <givenName>Jessica</givenName>
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      <creatorName>Qiu, Yudong</creatorName>
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      <creatorName>Smith, Daniel G.A.</creatorName>
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      <creatorName>Boothroyd, Simon</creatorName>
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      <givenName>Caitlin C.</givenName>
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      <creatorName>Dotson, David</creatorName>
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      <creatorName>Gokey, Trevor</creatorName>
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      <creatorName>Lim, Victoria T.</creatorName>
      <givenName>Victoria T.</givenName>
      <familyName>Lim</familyName>
    </creator>
    <creator>
      <creatorName>Lucas, Xavier</creatorName>
      <givenName>Xavier</givenName>
      <familyName>Lucas</familyName>
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    <creator>
      <creatorName>Tjanaka, Bryon</creatorName>
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      <creatorName>Shirts, Michael R.</creatorName>
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      <familyName>Shirts</familyName>
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    <creator>
      <creatorName>Gilson, Michael K.</creatorName>
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      <creatorName>Chodera, John D.</creatorName>
      <givenName>John D.</givenName>
      <familyName>Chodera</familyName>
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    <creator>
      <creatorName>Bayly, Christopher I.</creatorName>
      <givenName>Christopher I.</givenName>
      <familyName>Bayly</familyName>
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    <creator>
      <creatorName>Mobley, David L.</creatorName>
      <givenName>David L.</givenName>
      <familyName>Mobley</familyName>
    </creator>
    <creator>
      <creatorName>Wang, Lee-Ping</creatorName>
      <givenName>Lee-Ping</givenName>
      <familyName>Wang</familyName>
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  <titles>
    <title>openforcefield/openforcefields: Version 1.1.1 "Parsley"</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2020</publicationYear>
  <dates>
    <date dateType="Issued">2020-04-14</date>
  </dates>
  <resourceType resourceTypeGeneral="Software"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/3751818</alternateIdentifier>
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  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsSupplementTo">https://github.com/openforcefield/openforcefields/tree/1.1.1</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.3473553</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/openforcefield</relatedIdentifier>
  </relatedIdentifiers>
  <version>1.1.1</version>
  <rightsList>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;This bugfix release contains following changes: (1) Addition of monatomic ion &lt;code&gt;LibraryCharges&lt;/code&gt;.&lt;/p&gt;</description>
  </descriptions>
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