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AiiDA plugin package "aiida-cusp"

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General information

Current state:

Short description: Custodian based VASP Plugin for AiiDA

How to install: pip install https://pypi.org/project/aiida-cusp

Source code: Go to the source code repository

Documentation: Go to plugin documentation

Detailed information

Author(s): Andreas Stamminger

Contact: stammingera@gmail.com

How to use from python: import aiida_cusp

Most recent version: 0.1.0b2

Compatibility:

Plugins provided by the package

Calculations 1 Parsers 1 Data 11 Other (Data commands) 1

Data node types (aiida.data)

  • cusp.kpoints
    class aiida_cusp.data.inputs.vasp_kpoint:VaspKpointData
  • cusp.poscar
    class aiida_cusp.data.inputs.vasp_poscar:VaspPoscarData
  • cusp.incar
    class aiida_cusp.data.inputs.vasp_incar:VaspIncarData
  • cusp.potcar
    class aiida_cusp.data.inputs.vasp_potcar:VaspPotcarData
  • cusp.vasprun
    class aiida_cusp.data.outputs.vasp_vasprun:VaspVasprunData
  • cusp.outcar
    class aiida_cusp.data.outputs.vasp_outcar:VaspOutcarData
  • cusp.contcar
    class aiida_cusp.data.outputs.vasp_contcar:VaspContcarData
  • cusp.chgcar
    class aiida_cusp.data.outputs.vasp_chgcar:VaspChgcarData
  • cusp.wavecar
    class aiida_cusp.data.outputs.vasp_wavecar:VaspWavecarData
  • cusp.generic
    class aiida_cusp.data.outputs.vasp_generic:VaspGenericData
  • cusp.potcarfile
    class aiida_cusp.data.inputs.vasp_potcar:VaspPotcarFile

CalcJobs and calculation functions (aiida.calculations)

  • cusp.vasp
    class aiida_cusp.calculators.vasp_calculation:VaspCalculation

CalcJob parsers (aiida.parsers)

  • cusp.default
    class aiida_cusp.parsers.vasp_file_parser:VaspFileParser

verdi data commands (aiida.cmdline.data)

  • potcar
    class aiida_cusp.cli.potcar_cmd:potcar