aiida_hubbard

AiiDA plugin for the first-principles calculation of Hubbard parameters.

Subpackages

• aiida_hubbard.calculations
  • aiida_hubbard.calculations.functions
    • aiida_hubbard.calculations.functions.structure_relabel_kinds
    • aiida_hubbard.calculations.functions.structure_reorder_kinds
  • aiida_hubbard.calculations.hp
• aiida_hubbard.parsers
  • aiida_hubbard.parsers.parse_raw
    • aiida_hubbard.parsers.parse_raw.hp
  • aiida_hubbard.parsers.hp
• aiida_hubbard.utils
  • aiida_hubbard.utils.general
  • aiida_hubbard.utils.validation
• aiida_hubbard.workflows
  • aiida_hubbard.workflows.hp
    • aiida_hubbard.workflows.hp.base
    • aiida_hubbard.workflows.hp.main
    • aiida_hubbard.workflows.hp.parallelize_atoms
    • aiida_hubbard.workflows.hp.parallelize_qpoints
  • aiida_hubbard.workflows.protocols
    • aiida_hubbard.workflows.protocols.hp
  • aiida_hubbard.workflows.hubbard

Package Contents

aiida_hubbard.__version__ = '0.5.0'