Metadata-Version: 2.1
Name: panthera
Version: 0.5.2
Summary: Package for calculating thermochemistry with anharmonic corrections
Home-page: https://github.com/lmmentel/panthera
License: MIT
Keywords: vibrations,anharmonic,thermochemistry,chemistry,physics
Author: Lukasz Mentel
Author-email: lmmentel@gmail.com
Maintainer: Lukasz Mentel
Maintainer-email: lmmentel@gmail.com
Requires-Python: >=3.8,<3.10
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Requires-Dist: ase (>=3.22.0,<4.0.0)
Requires-Dist: bmatrix (>=1.0.1,<2.0.0)
Requires-Dist: lxml (>=4.6.3,<5.0.0)
Requires-Dist: matplotlib (>=3.4.3,<4.0.0)
Requires-Dist: numpy (>=1.21.1,<2.0.0)
Requires-Dist: numpydoc (>=1.1.0,<2.0.0)
Requires-Dist: pandas (>=1.3.1,<2.0.0)
Requires-Dist: scipy (>=1.7.1,<2.0.0)
Project-URL: Repository, https://github.com/lmmentel/panthera
Description-Content-Type: text/markdown


# panthera - program for anharmonic thermochemistry

## Installation

The recommended installation method is with [pip]. The latest version
can be installed directly from [bitbucket repository]:

```bash
pip install https://github.com/lmmentel/panthera.git
```
or cloned first
```bash
git clone https://github.com/lmmentel/panthera.git
```
and installed via
```bash
pip install -U [--user] ./panthera
```

[pip]: https://pip.pypa.io/en/stable/

## Documentation

The documentatioan can be at [panthera.rtfd.io](http://panthera.rtfd.io).

## Citing

If you use *panthera* in a scientific publication, please cite the software as

|    L. M. Mentel, *panthera* - Package for Anharmonic Thermochemistry, 2016. Available at: [https://github.com/lmmentel/panthera](https://github.com/lmmentel/panthera)


## Funding

This project is supported by the RCN (The Research Council of Norway) project
number 239193.


