pyiron_atomistics.atomistics.master.murnaghan.MurnaghanJobGenerator

class pyiron_atomistics.atomistics.master.murnaghan.MurnaghanJobGenerator(master)

Bases: JobGenerator

__init__(master)

Parameters:

master (ParallelMaster) – master job from which child jobs are created with

:param ParallelMaster.create_child_job().:

Methods

__init__(master)	param master: master job from which child jobs are created with
job_name(parameter)	Return new job name from parameter object.
modify_job(job, parameter)	Modify next job with the parameter object.
next()	Iterate over the child jobs

Attributes

master	the parallel master job with which this generator was initialized
parameter_list	Returns: (list)
parameter_list_cached

job_name(parameter)

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 parameter_list.

Returns:

job name for the next child job tuple: construct the job name via _get_safe_job_name();

allows any object that can be coerced to str inside the tuple

Return type:

str

property master

the parallel master job with which this generator was initialized

Type:

ParallelMaster

modify_job(job, parameter)

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 instance

• parameter (type) – current parameter object drawn from parameter_list.

Returns:

must be the given job

Return type:

GenericJob

next()

Iterate over the child jobs

Returns:

new job object

Return type:

GenericJob

property parameter_list

Returns: (list)