pyiron_atomistics.atomistics.job.atomistic

Functions

set_structure(job, parameter)

Classes

AtomisticGenericJob(project, job_name)	Atomistic Generic Job class extends the Generic Job class with all the functionality to run jobs containing atomistic structures.
GenericInput([input_file_name, table_name])
GenericOutput(job)
MapFunctions()
Trajectory(positions, structure[, ...])	A trajectory instance compatible with the ase.io class