import sys from pyiron import Project, __version__ pr = Project( "tests/static/backwards/V{}".format(__version__).replace(".", "_") ) structure = pr.create_ase_bulk("Al") job = pr.create_job(pr.job_type.Sphinx, "sphinx") job.structure = structure job.save() print("job {} saved from {}".format(job.id, sys.argv[0]))
from pyiron import Project, __version__ pr = Project("tests/static/backwards/V{}".format(__version__).replace( ".", "_")) structure = pr.create_ase_bulk("Al") job = pr.create_job(pr.job_type.StructureContainer, "structure_container") job.structure = structure job.save()