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fleshed out readme
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wolearyc committed Aug 4, 2024
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## About

**ramannoodle** helps you calculate Raman spectra from first-principles calculations.
**ramannoodle** is a Python API that helps you calculate Raman spectra from first-principles calculations.

> [!NOTE]
> **This API is currently in alpha.**
> **ramannoodle is currently in alpha.**
ramannoodle is built from the ground up with the goals of being:

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ramannoodle is designed according to the philosophy that the user should understand *exactly* what is being calculated, without hidden corrections or assumptions.

Supported DFT Software
----------------------
## Supported DFT Software

* VASP (currently under development)
* phonopy (planned)

## Installation

ramannoodle can be installed via pip:

`
pip install ramannoodle
`

## Contributing

Contributions in the form of bug reports, feature suggestions, and pull requests are always welcome!

## Citing

coming soon...

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