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About 8 years ago when the LAMMPS Python package was still very rudimentary and not well documented, I've created the `PyLammps` interface which wraps the `lammps` package in a more Pythonic way. It …
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I want to reduce the size of my `dump.out` files. I see that `pyiron` controls the precision of decimal points when `load_default` is defined ; https://github.com/pyiron/pyiron_atomistics/blob/233478c…
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I want to use a potential file that I've made small changes to and stored in my project folder.
Is there a function in pyrion to read the potential file that `job.potential` can receive?
The jo…
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when I am running the code cfdemsolverrhopimplechem. I am getting the error "Coupling files cannot be removed". Does anyone know about this. Please reply
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Comment from the previous 2020 tutorial:
> Several users were interested in specific plugins (VASP/lammps/Yambo/...). Maybe it would be nice to have some links/appendices on the most popular plugin…
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Currently waiting for confirmation about whether we want to continue with LAMMPS support.
I suggest that for now we move the LAMMPS installation instructions from the main instructions to the LAMM…
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### Bug summary
When I run the steps to the model application according to the official introductory tutorial (Example: a gas-phase methane molecule), I get lammps errors.
**An error occurred while r…
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It would be nice to have certain functionality available as single functions. While these are less flexible compared to the `GenericMaster` classes, still for users who mainly want to calculate specif…
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Dear support team:
I have been exploring the FLARE (ACE descriptors + sparse GP) Python API and have encountered some issues that I'd like to address.
Question 1: I tried accessing the FLARE via t…