aiida_raspa.calculations package¶
Module contents¶
Raspa input plugin.
- class aiida_raspa.calculations.RaspaCalculation(*args, **kwargs)[source]¶
Bases:
CalcJob
This is a RaspaCalculation, subclass of CalcJob, to prepare input for RASPA code. For information on RASPA, refer to: https://github.com/iraspa/raspa2.
- DEFAULT_PARSER = 'raspa'¶
- INPUT_FILE = 'simulation.input'¶
- OUTPUT_FOLDER = 'Output'¶
- PROJECT_NAME = 'aiida'¶
- RESTART_FOLDER = 'Restart'¶
- __abstractmethods__ = frozenset({})¶
- __module__ = 'aiida_raspa.calculations'¶
- _abc_cache = <_weakrefset.WeakSet object>¶
- _abc_negative_cache = <_weakrefset.WeakSet object>¶
- _abc_negative_cache_version = 54¶
- _abc_registry = <_weakrefset.WeakSet object>¶