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Details for AiiDA plugin "aiida-qeq"

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General information

Current state: development

Go to the plugin code homepage

Documentation: Documentation not provided by the plugin author

Detailed information

Author(s): Leopold Talirz, Daniele Ongari

Short description: AiiDA plugin for computing electronic charges on atoms using equilibration-type models (QEq, EQEq, ...).

Package name (for pip): aiida-qeq

How to use from python: import aiida_qeq

Most recent version: 0.1.0

Summary of the entrypoints

This plugin contains:
Calculations 2 Parsers 2 Data 2

Available entrypoints

Calculation plugins (aiida.calculations)

  • qeq.eqeq
    class aiida_qeq.calculations.eqeq:EQeqCalculation
  • qeq.qeq
    class aiida_qeq.calculations.qeq:QeqCalculation

Calculation parsers (aiida.parsers)

  • qeq.eqeq
    class aiida_qeq.parsers.eqeq:EQeqParser
  • qeq.qeq
    class aiida_qeq.parsers.qeq:QeqParser

Data types (aiida.data)

  • qeq.eqeq
    class aiida_qeq.data.eqeq:EQeqParameters
  • qeq.qeq
    class aiida_qeq.data.qeq:QeqParameters