pyiron.atomistics.master.sqsmaster module¶
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class
pyiron.atomistics.master.sqsmaster.
SQSJobGenerator
(master)[source]¶ Bases:
pyiron_base.master.parallel.JobGenerator
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static
job_name
(parameter)[source]¶ Return new job name from parameter object. The next child job created will have this name. Subclasses may override this to give custom job names.
- Parameters
parameter (type) – current parameter object drawn from :attribute:`.parameter_list`.
- Returns
job name for the next child job
- Return type
str
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modify_job
(job, parameter)[source]¶ Modify next job with the parameter object. job is already the newly created job object cloned from the template job, so this function has to return the same instance, but may (and should) modify it.
- Parameters
job (
GenericJob
) – new job instanceparameter (type) – current parameter object drawn from :attribute:`.parameter_list`.
- Returns
must be the given job
- Return type
GenericJob
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property
parameter_list
¶ Returns: (list)
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static
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class
pyiron.atomistics.master.sqsmaster.
SQSMaster
(project, job_name)[source]¶ Bases:
pyiron.atomistics.master.parallel.AtomisticParallelMaster
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collect_output
()[source]¶ Collect the output files of the external executable and store the information in the HDF5 file. This method has to be implemented in the individual meta jobs derived from the ParallelMaster.
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property
list_of_structures
¶
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