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aiida-cusp

Custodian based VASP Plugin for AiiDA

status beta AiiDA >=1.3.0,<2.0.0

General information

Install pip install https://pypi.org/project/aiida-cusp
Source code https://github.com/aiida-cusp/aiida-cusp
Documentation https://aiida-cusp.readthedocs.io
Author(s) Andreas Stamminger
Contact stammingera@gmail.com
Python import import aiida_cusp
Latest version 0.1.0b2

Registry checks

W008: Unable to reach documentation URL: https://aiida-cusp.readthedocs.io
W010: Entry point 'potcar' does not start with prefix 'cusp.'
E001: Failed to install plugin aiida-cusp<pre>Collecting https://pypi.org/project/aiida-cusp Downloading https://pypi.org/project/aiida-cusp (3.0 kB) ERROR: Cannot unpack file /tmp/pip-unpack-5s_th84f/aiida-cusp (downloaded from /tmp/pip-req-build-avufozdi, content-type: text/html; charset=utf-8); cannot detect archive format ERROR: Cannot determine archive format of /tmp/pip-req-build-avufozdi </pre>
Click any code (W001, E001…) to jump to troubleshooting instructions .

Plugins provided

Calculations 1 Parsers 1 Data 11 Other 1

Entry points

Data node types aiida.data

  • cusp.kpoints

    aiida_cusp.data.inputs.vasp_kpoint:VaspKpointData

  • cusp.poscar

    aiida_cusp.data.inputs.vasp_poscar:VaspPoscarData

  • cusp.incar

    aiida_cusp.data.inputs.vasp_incar:VaspIncarData

  • cusp.potcar

    aiida_cusp.data.inputs.vasp_potcar:VaspPotcarData

  • cusp.vasprun

    aiida_cusp.data.outputs.vasp_vasprun:VaspVasprunData

  • cusp.outcar

    aiida_cusp.data.outputs.vasp_outcar:VaspOutcarData

  • cusp.contcar

    aiida_cusp.data.outputs.vasp_contcar:VaspContcarData

  • cusp.chgcar

    aiida_cusp.data.outputs.vasp_chgcar:VaspChgcarData

  • cusp.wavecar

    aiida_cusp.data.outputs.vasp_wavecar:VaspWavecarData

  • cusp.generic

    aiida_cusp.data.outputs.vasp_generic:VaspGenericData

  • cusp.potcarfile

    aiida_cusp.data.inputs.vasp_potcar:VaspPotcarFile
CalcJobs and calculation functions aiida.calculations

  • cusp.vasp

    aiida_cusp.calculators.vasp_calculation:VaspCalculation
CalcJob parsers aiida.parsers

  • cusp.default

    aiida_cusp.parsers.vasp_file_parser:VaspFileParser
verdi data commands aiida.cmdline.data

  • potcar

    aiida_cusp.cli.potcar_cmd:potcar