• License: BSD-3-Clause
• Home: https://github.com/simonpintarelli/upf_to_json
• Development: https://github.com/simonpintarelli/upf_to_json
• 13887 total downloads
• Last upload: 3 months and 28 days ago

Description

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.