Metadata-Version: 2.4
Name: upf_to_json
Version: 1.0.0
Summary: upf to json converter
Author-email: Simon Pintarelli <simon.pintarelli@cscs.ch>
License: Copyright (c) 2013-2015 Anton Kozhevnikov, Thomas Schulthess
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Project-URL: Homepage, https://github.com/simonpintarelli/upf_to_json
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: BSD License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
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Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: Click
Provides-Extra: test
Requires-Dist: deepdiff; extra == "test"
Requires-Dist: pytest; extra == "test"
Dynamic: license-file

# 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](https://github.com/electronic-structure/SIRIUS).


More information about the unified pseudopotential format can be found here:
https://www.quantum-espresso.org/pseudopotentials/unified-pseudopotential-format


## CLI interface

```
Usage: upf2json [OPTIONS] COMMAND [ARGS]...

Options:
  --help  Show this message and exit.

Commands:
  convert
  summary
```
