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Hi there,
@muh-hassani @samwaseda
I was recently trying to use https://github.com/materialdigital/PMD-workflow-workshop/blob/416e79550a067e8134673a092020cd21e1802120/2_customized_job/2_0_custom…
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@samwaseda created a pyiron workshop for material digital [:package:](https://github.com/materialdigital/bam-workshop-2023-02) and Muhammad did something similar some time ago [:package:](https://gith…
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I would like to use the input structure of a job in `pr2` into `newjob`. The idea is to use `tags` that were previously assigned to a `Pyiron` structure.
What I tried to do was collect the structu…
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Do we have an example how to calculate the RMSE for the test set by setting LAMMPS in `interactive` mode? The example in the DPG tutorial covers the calculation of energy volume curves but only uses r…
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Having access to the VASP installation on our cluster, and the potentials files, I just need a little more detailed instructions than are available [here](https://pyiron.readthedocs.io/en/latest/sourc…
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Create an example for [this one](https://github.com/pyiron-dev/NFDI4Ing_pyiron_base/blob/main/example.ipynb) using pyiron_workflow
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I am running a Pyiron job with customized lammps input files.
It creates the dump files as expected but fails when trying to collect.
The following error.out is created in the projects directory:
…
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The recent pull requests added a lot of functionality to the remote access, this still needs to be documented. Unfortunately, the remote functionality currently only works in combination with `pyiron_…
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@liamhuber, as we have just discussed please find below a sketch of the envisioned storage concept. The main idea is to have two databases/stores, one for the nodes, macros, workflows (left side) and …
JNmpi updated
3 months ago