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# Logging Calculator

class ase.calculators.loggingcalc.LoggingCalculator(calculator, jsonfile=None, dumpjson=False)

  Calculator wrapper to record and plot history of energy and function evaluations

  Basic calculator implementation.

  restart: str

    Prefix for restart file. May contain a directory. Default is None: don’t restart.

  ignore_bad_restart_file: bool

    Deprecated, please do not use. Passing more than one positional argument to Calculator() is deprecated and will stop working in the future. Ignore broken or missing restart file. By default, it is an error if the restart file is missing or broken.

  directory: str or PurePath

    Working directory in which to read and write files and perform calculations.

  label: str

    Name used for all files. Not supported by all calculators. May contain a directory, but please use the directory parameter for that instead.

  atoms: Atoms object

    Optional Atoms object to which the calculator will be attached. When restarting, atoms will get its positions and unit-cell updated from file.

See the `ase.optimize.precon` module for an example of using this tool.