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Details for AiiDA plugin "aiida-nwchem"

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General information

Current state: stable

Go to the plugin code homepage

Documentation: Go to plugin documentation

Detailed information

Author(s): The AiiDA team

Short description: The official AiiDA plugin for NWChem

Package name (for pip): aiida-nwchem

How to use from python: import aiida_nwchem

Most recent version: 1.0.2

Summary of the entrypoints

This plugin contains:
Calculations 2 Parsers 3 Other (TCOD plugins, Tests) 2

Available entrypoints

Calculation plugins (aiida.calculations)

  • nwchem.basic
    class aiida_nwchem.calculations.basic:BasicCalculation
  • nwchem.pymatgen
    class aiida_nwchem.calculations.nwcpymatgen:NwcpymatgenCalculation

Calculation parsers (aiida.parsers)

  • nwchem.basic
    class aiida_nwchem.parsers.basic:BasicParser
  • nwchem.basenwc
    class aiida_nwchem.parsers.__init__:BasenwcParser
  • nwchem.pymatgen
    class aiida_nwchem.parsers.nwcpymatgen:NwcpymatgenParser

Exporter plugins for the TCOD database (aiida.tools.dbexporters.tcod_plugins)

  • nwchem.nwcpymatgen
    class aiida_nwchem.tools.dbexporters.tcod_plugins.nwcpymatgen:NwcpymatgenTcodtranslator

Development test modules (aiida.tests)

  • nwchem.tcodexporter
    class aiida_nwchem.tests.tcodexporter