upf_to_json
Unified Pseudopotential Format to JSON converter for Python
Unified Pseudopotential Format to JSON converter for Python
To install this package, run one of the following:
UPF is a file format to describe atomic pseudo-potentials used by (DFT) density functional theory codes. This package provides scripts for converting UPF v1 and UPF v2 (Unified Pseudopotential Format) to json format as required by the SIRIUS DFT library SIRIUS https://github.com/electronic-structure/SIRIUS.
Summary
Unified Pseudopotential Format to JSON converter for Python
Last Updated
Aug 6, 2024 at 06:32
License
BSD-3-Clause
Total Downloads
20.1K
Supported Platforms
GitHub Repository
https://github.com/simonpintarelli/upf_to_json