Package Usage: conda: upf_to_json

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>.
1 version
Latest release: over 4 years ago
1 dependent package

View more package details: https://packages.ecosyste.ms/registries/anaconda.org/packages/upf_to_json

View more repository details: https://repos.ecosyste.ms/hosts/GitHub/repositories/simonpintarelli%2Fupf_to_json

Dependent Repos 10