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Details for AiiDA plugin "aiida-vasp"

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General information

Current state: development

Go to the plugin code homepage

Documentation: Go to plugin documentation

Detailed information

Author(s): Rico Häuselmann

Short description: AiiDA Plugin for running VASP calculations.

Package name (for pip): aiida-vasp

How to use from python: import aiida_vasp

Most recent version: 0.2.4

Summary of the entrypoints

This plugin contains:
Calculations 2 Parsers 3 Data 6 Workflows 12 Other (Console scripts, Cmdline data) 2

Available entrypoints

Calculation plugins (aiida.calculations)

  • vasp.vasp
    class aiida_vasp.calcs.vasp:VaspCalculation
  • vasp.vasp2w90
    class aiida_vasp.calcs.vasp2w90:Vasp2w90Calculation

Calculation parsers (aiida.parsers)

  • vasp.vasp
    class aiida_vasp.parsers.vasp:VaspParser
  • vasp.vasp2w90
    class aiida_vasp.parsers.vasp2w90:Vasp2w90Parser
  • vasp.pymatgen
    class aiida_vasp.parsers.pymatgen_vasp:PymatgenParser

Data types (

  • vasp.archive
  • vasp.chargedensity
  • vasp.wavefun
  • vasp.potcar
  • vasp.potcar_file
  • vasp.paw

  • vasp-potcar
    class aiida_vasp.commands.potcar:potcar

Command-line script utilities (console_scripts)

  • mock-vasp
    class aiida_vasp.commands.mock_vasp:mock_vasp

Workflows and WorkChains (aiida.workflows)

  • vasp.vasp
    class aiida_vasp.workchains.vasp:VaspWorkChain
  • vasp.verify
    class aiida_vasp.workchains.verify:VerifyWorkChain
  • vasp.converge
    class aiida_vasp.workchains.converge:ConvergeWorkChain
  • vasp.bands
    class aiida_vasp.workchains.bands:BandsWorkChain
  • vasp.master
    class aiida_vasp.workchains.master:MasterWorkChain
  • vasp.relax
    class aiida_vasp.workchains.relax:RelaxWorkChain
  • vasp.legacy.scf
    class aiida_vasp.workflows.scf:ScfWorkflow
  • vasp.legacy.nscf
    class aiida_vasp.workflows.nscf:NscfWorkflow
  • vasp.legacy.projections
    class aiida_vasp.workflows.projections:ProjectionsWorkflow
  • vasp.legacy.autowindows
    class aiida_vasp.workflows.autowindows:AutowindowsWorkflow
  • vasp.legacy.wannier
    class aiida_vasp.workflows.wannier:WannierWorkflow