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aiida-environ

AiiDA plugin for Environ

status stable AiiDA >=1.6

General information

Install pip install git+https://github.com/environ-developers/aiida-environ
Source code https://github.com/environ-developers/aiida-environ
Documentation No documentation provided by the package author.
Contact materialab@unt.edu
Python import import aiida_environ
Latest version 1.0.0

Registry checks

W003: Missing classifier 'Framework :: AiiDA'
Click any code (W001, E001…) to jump to troubleshooting instructions .

Plugins provided

Calculations 2 Parsers 1 Data 1 Workflows 4

Entry points

CalcJobs and calculation functions aiida.calculations

  • environ.pw

    aiida_environ.calculations.pw:EnvPwCalculation

  • environ.finite

    aiida_environ.calculations.finite:calculate_finite_differences
Data node types aiida.data

  • environ.charges

    aiida_environ.data.charge:EnvironChargeData
CalcJob parsers aiida.parsers

  • environ.pw

    aiida_environ.parsers.pw:EnvPwParser
WorkChains and work functions aiida.workflows

  • environ.pw.base

    aiida_environ.workflows.pw.base:EnvPwBaseWorkChain

  • environ.pw.relax

    aiida_environ.workflows.pw.relax:EnvPwRelaxWorkChain

  • environ.pw.solvation

    aiida_environ.workflows.pw.solvation:PwSolvationWorkChain

  • environ.pw.force_test

    aiida_environ.workflows.pw.force_test:EnvPwForceTestWorkChain