wannier90io


Namewannier90io JSON
Version 0.1.0b1 PyPI version JSON
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home_pageNone
SummaryA Python library for Wannier90 I/O
upload_time2023-09-19 04:52:46
maintainerNone
docs_urlNone
authorJamal I. Mustafa
requires_python>=3.8
licenseMIT License Copyright (c) 2022 Jamal I. Mustafa Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
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            # Wannier90 I/O with Python

A Python library for reading and writing [Wannier90][w90] files.

## Quickstart

<!--
```python
win_fpath = "./tests/fixtures/wannier90-3.1.0/examples/example01/wannier.win"
nnkp_fpath = "./tests/fixtures/wannier90-3.1.0/examples/example01/wannier.nnkp"
```
-->

<!--pytest-codeblocks:cont-->
```python
import pprint

import wannier90io as w90io


pp = pprint.PrettyPrinter()

with open(win_fpath, 'r') as fh:
    parsed_win = w90io.parse_win_raw(fh.read())

with open(nnkp_fpath, 'r') as fh:
    parsed_nnkp = w90io.parse_nnkp_raw(fh.read())

pp.pprint(parsed_win)
pp.pprint(parsed_nnkp)
```

[w90]: http://wannier.org

            

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