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

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

CalcJobs and calculation functions (aiida.calculations)

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

verdi data commands (aiida.cmdline.data)

• potcar
  class aiida_cusp.cli.potcar_cmd:potcar

Data node types (aiida.data)

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

CalcJob parsers (aiida.parsers)

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