Python API

• aiida_quantumespresso.calculations
  • Subpackages
    • aiida_quantumespresso.calculations.functions
    • aiida_quantumespresso.calculations.helpers
  • Submodules
    • aiida_quantumespresso.calculations.bands
    • aiida_quantumespresso.calculations.base
    • aiida_quantumespresso.calculations.cp
    • aiida_quantumespresso.calculations.dos
    • aiida_quantumespresso.calculations.epw
    • aiida_quantumespresso.calculations.matdyn
    • aiida_quantumespresso.calculations.namelists
    • aiida_quantumespresso.calculations.neb
    • aiida_quantumespresso.calculations.open_grid
    • aiida_quantumespresso.calculations.ph
    • aiida_quantumespresso.calculations.pp
    • aiida_quantumespresso.calculations.projwfc
    • aiida_quantumespresso.calculations.pw
    • aiida_quantumespresso.calculations.pw2gw
    • aiida_quantumespresso.calculations.pw2wannier90
    • aiida_quantumespresso.calculations.pwimmigrant
    • aiida_quantumespresso.calculations.q2r
    • aiida_quantumespresso.calculations.xspectra
  • Package Contents
    • Classes
    • Functions
    • Attributes
• aiida_quantumespresso.common
  • Submodules
    • aiida_quantumespresso.common.hubbard
    • aiida_quantumespresso.common.types
• aiida_quantumespresso.data
  • Submodules
    • aiida_quantumespresso.data.force_constants
    • aiida_quantumespresso.data.hubbard_structure
• aiida_quantumespresso.parsers
  • Subpackages
    • aiida_quantumespresso.parsers.parse_raw
    • aiida_quantumespresso.parsers.parse_xml
  • Submodules
    • aiida_quantumespresso.parsers.bands
    • aiida_quantumespresso.parsers.base
    • aiida_quantumespresso.parsers.cp
    • aiida_quantumespresso.parsers.dos
    • aiida_quantumespresso.parsers.matdyn
    • aiida_quantumespresso.parsers.neb
    • aiida_quantumespresso.parsers.open_grid
    • aiida_quantumespresso.parsers.ph
    • aiida_quantumespresso.parsers.pp
    • aiida_quantumespresso.parsers.projwfc
    • aiida_quantumespresso.parsers.pw
    • aiida_quantumespresso.parsers.pw2gw
    • aiida_quantumespresso.parsers.pw2wannier90
    • aiida_quantumespresso.parsers.q2r
    • aiida_quantumespresso.parsers.xspectra
  • Package Contents
    • QEOutputParsingError
• aiida_quantumespresso.tools
  • Subpackages
    • aiida_quantumespresso.tools.calculations
    • aiida_quantumespresso.tools.data
  • Submodules
    • aiida_quantumespresso.tools.base
    • aiida_quantumespresso.tools.cpinputparser
    • aiida_quantumespresso.tools.pwinputparser
• aiida_quantumespresso.utils
  • Subpackages
    • aiida_quantumespresso.utils.defaults
    • aiida_quantumespresso.utils.protocols
    • aiida_quantumespresso.utils.validation
  • Submodules
    • aiida_quantumespresso.utils.bands
    • aiida_quantumespresso.utils.convert
    • aiida_quantumespresso.utils.hubbard
    • aiida_quantumespresso.utils.linalg
    • aiida_quantumespresso.utils.mapping
    • aiida_quantumespresso.utils.resources
    • aiida_quantumespresso.utils.restart
• aiida_quantumespresso.workflows
  • Subpackages
    • aiida_quantumespresso.workflows.bands
    • aiida_quantumespresso.workflows.functions
    • aiida_quantumespresso.workflows.matdyn
    • aiida_quantumespresso.workflows.ph
    • aiida_quantumespresso.workflows.protocols
    • aiida_quantumespresso.workflows.pw
    • aiida_quantumespresso.workflows.q2r
    • aiida_quantumespresso.workflows.xspectra
  • Submodules
    • aiida_quantumespresso.workflows.pdos
    • aiida_quantumespresso.workflows.xps