ESCDF - Extensions

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  • ESCDF - Electronic Structure Common Data Format
  • ESCDF - System
  • ESCDF - Basis sets
  • ESCDF - Densities
  • ESCDF - Potentials
  • ESCDF - States
  • |

    Links to other ESL entries

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  • libescdf
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  • ESCDF - Electronic Structure Common Data Format
  • ESCDF - System
  • ESCDF - Basis sets
  • ESCDF - Densities
  • ESCDF - Potentials
  • ESCDF - States
  • |

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    Version

    File format version number: 0.1

    General overview

    A data format cannot cover all possible use cases. In some situations, the user may repeatedly need some data that is of interest to only one particular software project and which is not part of the core of the format. This additional piece of data may even be absolutely necessary to make the file format of interest for this user or to make it possible to exchange data with collaborators. In such a case, an extension can be added to the specifications.

    In order to be valid, an extension must:

    • select one and only one <name_of_project> lower-case keyword that actually represents the corresponding software project;
    • use /extensions/<name_of_project> as root namespace;
    • follow the general guidelines of the file format regarding the contents of the group;
    • provide an up-to-date documentation on the ESL wiki.

    A list of currently reserved keywords for project-specific extensions is provided hereafter. Please add yours to the table preserving alphabetical order before providing an extension.

    Reserved keywords

    The following table summarises the keywords reserved for the projects currently participating to the data format initiative.

    Keyword Project Website
    abinit Abinit http://www.abinit.org/
    berkeleygw BerkeleyGW http://www.berkeleygw.org/
    octopus Octopus http://www.tddft.org/programs/octopus/
    wien2k WIEN2k http://www.wien2k.at/
    yambo Yambo http://www.yambo-code.org/
    sprkkr Munich SPR-KKR http://ebert.cup.uni-muenchen.de/sprkkr



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