pyiron_atomistics.project.Creator

class pyiron_atomistics.project.Creator(project)

Bases: Creator

__init__(project)

Methods

__init__(project)
job_name(job_name[, ndigits, special_symbols])	Creation of job names with special symbol replacement and rounding of floating numbers
table([job_name, delete_existing_job])	Create pyiron table

Attributes

job
structure

static job_name(job_name: str, ndigits: int | None = 8, special_symbols: Dict | None = None) → str

Creation of job names with special symbol replacement and rounding of floating numbers

Parameters:

• job_name (str/list) – Job name

• ndigits (int/None) – Decimal digits to round floats to a given precision. None if no rounding should be performed.

• special_symbols (dict) – Replacement of special symbols.

Returns:

Job name

Return type:

(str)

Default special_symbols: default_special_symbols_to_be_replaced

table(job_name: str = 'table', delete_existing_job: bool = False) → TableJob

Create pyiron table

Parameters:

• job_name (str) – job name of the pyiron table job

• delete_existing_job (bool) – Delete the existing table and run the analysis again.

Returns:

pyiron_base.table.datamining.TableJob