upf to json converter
Project description
UPF to JSON converter
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 github.
More information about the unified pseudopotential format can be found here: https://www.quantum-espresso.org/pseudopotentials/unified-pseudopotential-format
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
upf_to_json-0.9.5.tar.gz
(9.2 kB
view hashes)
Built Distribution
Close
Hashes for upf_to_json-0.9.5-py3-none-any.whl
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 7a90948afbf3bbd79d520db94389c8c85627d528d0ac71cfb827066d2c8e7d18 |
|
| MD5 | 81b2cbc9e22a1dc8b3f87691f17df15f |
|
| BLAKE2b-256 | dfc3e955711782ddd27410bd220e567fcafb0aeb816f9d1e3a04136f8cea09ff |
