fairchem icon indicating copy to clipboard operation
fairchem copied to clipboard

Request: Provide a Python module to make an OMC-compatible input set

Open Andrew-S-Rosen opened this issue 2 months ago • 0 comments

What would you like to report?

Currently, there is no standalone Python module to make an OMC-compatible VASP input set. There is a script in the fairchem.data.omc.scripts folder, but this is not something that can be readily imported and used, for instance, if one were to install fairchem-data-omc. This is in contrast with the other data directories, which all have some sort of Python function that can be imported and used as-is. So, this is a feature request to add that. Of course, we can (eventually) do so if nobody on the fairchem team has time to do so. It is pretty trivial.

Andrew-S-Rosen avatar Nov 18 '25 23:11 Andrew-S-Rosen