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AiiDA plugin package "aiida-catmat"

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General information

Current state:

Short description: Collection of AiiDA WorkChains Developed in Morgan Group

How to install: pip install --pre aiida-catmat

Source code: Go to the source code repository

Documentation: Go to plugin documentation

Detailed information

Author(s): Pezhman Zarabadi-Poor

Contact: pzarabadip@gmail.com

How to use from python: import aiida_catmat

Most recent version: 1.0.0b0


Plugins provided by the package

Parsers 1 Workflows 5

CalcJob parsers (aiida.parsers)

  • vasp_base_parser
    class aiida_catmat.parsers:VaspBaseParser

WorkChains and work functions (aiida.workflows)

  • catmat.vasp_catmat
    class aiida_catmat.workchains:VaspCatMatWorkChain
  • catmat.vasp_converge
    class aiida_catmat.workchains:VaspConvergeWorkChain
  • catmat.vasp_multistage
    class aiida_catmat.workchains:VaspMultiStageWorkChain
  • catmat.vasp_multistage_ddec
    class aiida_catmat.workchains:VaspMultiStageDdecWorkChain
  • vasp.base
    class aiida_catmat.workchains:VaspBaseWorkChain