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aiida-pythonjob-ins 0.1.0 documentation
aiida-pythonjob-ins 0.1.0 documentation

Contents:

  • Examples
    • Phonon band structure from CASTEP force constants
    • Phonon density of states from CASTEP force constants
    • TOSCA spectrum from CASTEP force constants
    • Band structure and DOS from Phonopy input
    • TOSCA spectrum from precomputed phonon modes
  • Workflows
  • Design Notes & Observations
  • API Reference
    • aiida_pythonjob_ins
      • aiida_pythonjob_ins.conversions
      • aiida_pythonjob_ins.data
        • aiida_pythonjob_ins.data.base
        • aiida_pythonjob_ins.data.crystal
        • aiida_pythonjob_ins.data.force_constants
        • aiida_pythonjob_ins.data.mixins
        • aiida_pythonjob_ins.data.qpoint_phonon_modes
      • aiida_pythonjob_ins.operations
      • aiida_pythonjob_ins.pythonjobs
      • aiida_pythonjob_ins.serialization
      • aiida_pythonjob_ins.workflows
        • aiida_pythonjob_ins.workflows.base
        • aiida_pythonjob_ins.workflows.dispersion
        • aiida_pythonjob_ins.workflows.dos
        • aiida_pythonjob_ins.workflows.tosca
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aiida_pythonjob_ins¶

Submodules¶

  • aiida_pythonjob_ins.conversions
  • aiida_pythonjob_ins.data
  • aiida_pythonjob_ins.operations
  • aiida_pythonjob_ins.pythonjobs
  • aiida_pythonjob_ins.serialization
  • aiida_pythonjob_ins.workflows
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