Jan Janssen

In combination with https://github.com/pyiron/structuretoolkit/pull/58 the example can be written even more elegantly: ``` import structuretoolkit as stk import ase filename_fe2o3 = 'fe2o3_conv_strucs.9000139.cif' stk.analyse.get_primitive_cell(structure=ase.io.read(filename_fe2o3,format='cif')) ```

As I recently had a lengthy discussion about selective dynamics with @ligerzero-ai I just want to link this here https://github.com/pyiron/pyiron_atomistics/issues/932

To be provocative - do we need a separate implementation from ASE https://wiki.fysik.dtu.dk/ase/ase/constraints.html

Is not this already available? https://github.com/pyiron/pyiron_atomistics/blob/main/tests/vasp/test_vasp.py#L116

The potential exists in OpenKIM https://openkim.org/id/EAM_Dynamo_MarinicaVentelonGilbert_2013EAM4__MO_046576227003_000 so I guess we want to support it. Still it is possible that my initial parser was not able to create the corresponding entry...

The script to generate the potential file is available in https://github.com/conda-forge/iprpy-data-feedstock/blob/main/recipe/generate_csv.py

Deleting the job from the queuing system is possible using the commands in the backend but not recommended: ``` from pyiron_base.jobs.job.extension.server.queuestatus import queue_delete_job queue_delete_job(item=job.server.queue_id) ```

> Can you explain why it is not recommended? I am not sure if pyiron correctly recognizes the job as aborted or whether it keeps the status running and we...

> for example, if I call mpi_run vasp_std_5.4.4 > vasp.log in the job script (currently time.out?), I want to be able to see what is being written to this vasp.log...

@srmnitc Can you merge with the new `main` branch?