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Fix contributing and readme
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matthewcarbone committed Sep 29, 2023
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10 changes: 5 additions & 5 deletions CONTRIBUTING.md
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We welcome any and all contributions to Lightshow! In particular, we highly encourage incorporating support for a new code.
If you wish to contribute, please feel free to do the following:

1. Create a new GitHub [Issue](https://github.com/AI-multimodal/Lightshow/issues) detailing what you would like to do (optional).
2. Fork your own copy of Lightshow, [make your changes](https://github.com/firstcontributions/first-contributions) and open a [Pull Request](https://github.com/AI-multimodal/Lightshow/pulls).
3. Discuss with the developers and other community members, refining your code as such.
4. Ensure all tests pass!
5. Once everyone is satisfied, we will merge your code and make a new release.
1. Create a new GitHub [Issue](https://github.com/AI-multimodal/Lightshow/issues) detailing what you would like to do (optional).
2. Fork your own copy of Lightshow, [make your changes](https://github.com/firstcontributions/first-contributions) and open a [Pull Request](https://github.com/AI-multimodal/Lightshow/pulls).
3. Discuss with the developers and other community members, refining your code as such.
4. Ensure all tests pass!
5. Once everyone is satisfied, we will merge your code and make a new release.

## Bug reporting

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16 changes: 7 additions & 9 deletions README.md
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Expand Up @@ -36,7 +36,7 @@ extensively documented and tested, and extendable for those users who
wish to add additional spectroscopy functionalities. There are also a
few comprehensive tutorials to help you get started.

# Tutorials
## Tutorials

We offer a few tutorials to get you started (with more on the way!)

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| 2 | Spectral broadening | Utilities for broadening spectra |[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/AI-multimodal/Lightshow/blob/master/notebooks/01_Ti_K_anatase_broaden.ipynb) |


# Installation
## Installation

To install Lightshow, simply use `pip`

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More details can be found at our [documentation](https://ai-multimodal.github.io/Lightshow/installation.html).

## Development installation
### Development installation

For developers: after cloning Lightshow locally, install `pre-commit` via

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and check that the tests (below) work correctly.

## Running tests
### Running tests

For developers: tests can be run via `pytest`. After cloning, simply use

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```


# Contributing
## Contributing

We welcome any and all contributions by the community, including pull requests, bug reports, etc.
Please see our [contributing](https://github.com/AI-multimodal/Lightshow/blob/master/CONTRIBUTING.md) document for more details!

## Adding new spectroscopy codes
### Adding new spectroscopy codes

Adding new spectroscopy codes requires one to inherit the `_BaseParameters` class from `lightshow.parameters._base`.
The new `Parameters(_BaseParameters)` object should have a `write()` method, which must take a target directory as an
Expand All @@ -105,7 +105,7 @@ either a unit or super cell). The `name` property must also be defined (correspo
e.g. "VASP"). Take a look at the examples in the `lightshow.parameters` module for more details!


# Funding acknowledgement
## Funding acknowledgement

This research is based upon work supported by the U.S. Department of
Energy, Office of Science, Office Basic Energy Sciences, under Award
Expand All @@ -117,8 +117,6 @@ Contract No. DE-SC0012704. This work received partial funding by the German Rese
C.V. acknowledges support by the Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division,
through the Midwest Integrated Center for Computational Materials (MICCoM).

## Disclaimer

The Software resulted from work developed under a U.S. Government
Contract No. DE-SC0012704 and are subject to the following terms: the
U.S. Government is granted for itself and others acting on its behalf a
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