aiida.calculations.plugins.arithmetic package¶
Submodules¶
Implementation of CalcJobNode to add two numbers for testing and demonstration purposes.
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class
aiida.calculations.plugins.arithmetic.add.
ArithmeticAddCalculation
(*args, **kwargs)[source]¶ Bases:
aiida.engine.processes.calcjobs.calcjob.CalcJob
Implementation of CalcJob to add two numbers for testing and demonstration purposes.
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__abstractmethods__
= frozenset({})¶
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__module__
= 'aiida.calculations.plugins.arithmetic.add'¶
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_abc_impl
= <_abc_data object>¶
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static
get_local_copy_list
()[source]¶ Build the local copy list, which are files that need to be copied from the local to the remote machine
- Returns
list of resource copy instructions
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static
get_remote_copy_list
()[source]¶ Build the remote copy list, which are files that need to be copied from the remote machine from one place to the directory of the new calculation on the same remote machine
- Returns
list of resource copy instructions
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get_retrieve_list
()[source]¶ Build the list of files that are to be retrieved upon calculation completion so that they can be passed to the parser.
- Returns
list of resource retrieval instructions
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prepare_for_submission
(folder)[source]¶ This method is called prior to job submission with a set of calculation input nodes. The inputs will be validated and sanitized, after which the necessary input files will be written to disk in a temporary folder. A CalcInfo instance will be returned that contains lists of files that need to be copied to the remote machine before job submission, as well as file lists that are to be retrieved after job completion.
- Parameters
folder – an aiida.common.folders.Folder to temporarily write files on disk
- Returns
CalcInfo instance
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write_input_files
(folder, input_x, input_y)[source]¶ Take the input_parameters dictionary with the namelists and their flags and write the input file to disk in the temporary folder
- Parameters
folder – an aiida.common.folders.Folder to temporarily write files on disk
input_x – the numeric node representing the left operand of the summation
input_y – the numeric node representing the right operand of the summation
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