API Reference

Full signatures, parameters, and return types for every public class and function in akaitools, generated directly from the source docstrings.

If you're looking for task-oriented guides instead, see Usage.

• Parsing

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  Top-level parse_dos(), parse_go(), parse_spc() functions and the parser classes behind them.

  Parsing

• DOS result

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  DOSResult and DOSComponent.

  DOS result

• SCF result

  ---

  GOResult and GOIteration.

  SCF result

• SPC result

  ---

  SPCResult, SPCParams, SpectralFunction, and KMeshInfo.

  SPC result

• Shared data models

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  CalculationResult base class plus the atomic, lattice, and system data models shared across results.

  Shared data models

• Plotting

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  plot_dos(), plot_convergence(), and plot_bsf().

  Plotting

• Input file generation

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  InputFile, KPath, and KPoint.

  Input file generation

• Errors

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  ParseError, InvalidParameterError, and InputValidationError.

  Errors