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

Author(s): Pezhman Zarabadi-Poor

Contact: pzarabadip@gmail.com

How to use from python: import aiida_catmat

Most recent version: 1.0.0b0

Compatibility:

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