There is a newer version of this record available.

Software Open Access

pyscal: A python module for structural analysis of atomic environments

Sarath Menon; Grisell Díaz Leines; Jutta Rogal


MARC21 XML Export

<?xml version='1.0' encoding='UTF-8'?>
<record xmlns="http://www.loc.gov/MARC21/slim">
  <leader>00000nmm##2200000uu#4500</leader>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">steinhardt</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">bond-order-parameters</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">molecular-dynamics</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">lammps</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">local-atomic-environment</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">solid-state-physics</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">order-parameters</subfield>
  </datafield>
  <controlfield tag="005">20200422210903.0</controlfield>
  <controlfield tag="001">3522377</controlfield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Interdisciplinary Centre for Advanced Materials Simulation, Ruhr-Universität Bochum</subfield>
    <subfield code="0">(orcid)0000-0002-3048-5315</subfield>
    <subfield code="a">Grisell Díaz Leines</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Interdisciplinary Centre for Advanced Materials Simulation, Ruhr-Universität Bochum</subfield>
    <subfield code="0">(orcid)0000-0002-6268-380X</subfield>
    <subfield code="a">Jutta Rogal</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">2687808</subfield>
    <subfield code="z">md5:3897cd36e3500ae26089f96b4a437f5f</subfield>
    <subfield code="u">https://zenodo.org/record/3522377/files/srmnitc/pyscal-2.0.1.zip</subfield>
  </datafield>
  <datafield tag="542" ind1=" " ind2=" ">
    <subfield code="l">open</subfield>
  </datafield>
  <datafield tag="260" ind1=" " ind2=" ">
    <subfield code="c">2019-10-29</subfield>
  </datafield>
  <datafield tag="909" ind1="C" ind2="O">
    <subfield code="p">software</subfield>
    <subfield code="o">oai:zenodo.org:3522377</subfield>
  </datafield>
  <datafield tag="909" ind1="C" ind2="4">
    <subfield code="c">1824</subfield>
    <subfield code="n">43</subfield>
    <subfield code="p">Journal of Open Source Software</subfield>
    <subfield code="v">4</subfield>
  </datafield>
  <datafield tag="100" ind1=" " ind2=" ">
    <subfield code="u">Interdisciplinary Centre for Advanced Materials Simulation, Ruhr-Universität Bochum</subfield>
    <subfield code="0">(orcid)0000-0002-6776-1213</subfield>
    <subfield code="a">Sarath Menon</subfield>
  </datafield>
  <datafield tag="245" ind1=" " ind2=" ">
    <subfield code="a">pyscal: A python module for structural analysis of atomic environments</subfield>
  </datafield>
  <datafield tag="540" ind1=" " ind2=" ">
    <subfield code="u">http://www.opensource.org/licenses/GPL-3.0</subfield>
    <subfield code="a">GNU General Public License v3.0 or later</subfield>
  </datafield>
  <datafield tag="650" ind1="1" ind2="7">
    <subfield code="a">cc-by</subfield>
    <subfield code="2">opendefinition.org</subfield>
  </datafield>
  <datafield tag="520" ind1=" " ind2=" ">
    <subfield code="a">&lt;p&gt;Python library written in C++ for calculation of local atomic structural environment&lt;/p&gt;</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="n">url</subfield>
    <subfield code="i">hasPart</subfield>
    <subfield code="a">https://joss.theoj.org/papers/10.21105/joss.01824</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="n">url</subfield>
    <subfield code="i">isDerivedFrom</subfield>
    <subfield code="a">https://github.com/srmnitc/pyscal</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="n">url</subfield>
    <subfield code="i">isDocumentedBy</subfield>
    <subfield code="a">https://pyscal.com</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="n">doi</subfield>
    <subfield code="i">isVersionOf</subfield>
    <subfield code="a">10.5281/zenodo.3522376</subfield>
  </datafield>
  <datafield tag="024" ind1=" " ind2=" ">
    <subfield code="a">10.5281/zenodo.3522377</subfield>
    <subfield code="2">doi</subfield>
  </datafield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">software</subfield>
  </datafield>
</record>
64
7
views
downloads
All versions This version
Views 6435
Downloads 72
Data volume 19.3 MB5.4 MB
Unique views 4923
Unique downloads 72

Share

Cite as