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This works:
import os from pyiron_atomistics import Project pr = Project("test") job = pr.create.job.Lammps("lmp1.2") job.structure = pr.create.structure.ase.bulk("Al", cubic=True) job.run() os.listdir(os.path.dirname(job.project_hdf5.file_name)) >>> ['lmp1d2_hdf5', 'lmp1d2.h5']
But this fails:
import os from pyiron_atomistics import Project pr = Project("test") pr.remove_jobs(recursive=True, silently=True) job = pr.create.job.Lammps("lmp1.2") job.structure = pr.create.structure.ase.bulk("Al", cubic=True) murn = job.create_job(pr.job_type.Murnaghan, "murn1.2") murn.run() os.listdir(os.path.dirname(murn.project_hdf5.file_name)) >>> ['murn1d2_hdf5', 'murn1.2.h5']
The expected output would be:
>>> ['murn1d2_hdf5', 'murn1d2.h5']
The text was updated successfully, but these errors were encountered:
The bug was introduced in #561
Sorry, something went wrong.
samwaseda
Successfully merging a pull request may close this issue.
This works:
But this fails:
The expected output would be:
The text was updated successfully, but these errors were encountered: