Metadata-Version: 2.4
Name: kisosub
Version: 0.1.1
Summary: Isotope fractionation model for HDO in pure hexagonal water ice (ice Ih)
Author: Veneranda Lopez Dias, Laurent CHION
Author-email: Veneranda Lopez Dias <veneranda.lopezdias@list.lu>, Laurent CHION <laurent.chion@list.lu>
License-Expression: MIT
License-File: LICENSE.md
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Requires-Dist: matplotlib>=3.11.1
Requires-Dist: pandas>=3.0.5
Requires-Dist: scikit-learn>=1.9.0
Requires-Dist: scipy>=1.18.0
Requires-Dist: seaborn>=0.13.2
Requires-Python: >=3.14
Project-URL: Homepage, https://git.list.lu/exo-hydrology/kisosub
Description-Content-Type: text/markdown

# Kisosub

**Kinetic isotope fractionation during sublimation of pure hexagonal water ice (ice Ih) and planar specific surface area under high to ultra-high vacuum and low to cryogenic temperatures (lunar environment)**

Kisosub is a Python package for computing HDO, $H_2^{18}O$ and $H_2^{17}O$ kinetic **isotope fractionation** (semi-heavy water isotopologues - ¹H²H¹⁶O, ¹H¹H¹⁸O, ¹H¹H¹⁷O) during sublimation of pure hexagonal water ice (ice Ih), under high to ultra-high vacuum over the temperature range relevant to different planetary bodies harsh environments (~90–273 K).

> **Note:** This package is under development, at the moment you can only find the notebooks to see some calculations.
> We are developing the package for making some calculations reusable in an easier way.

## Get started

### Create the developement environment

### With [uv](https://docs.astral.sh/uv/) (recommended)

To create the development environment you can use the tool [uv](https://docs.astral.sh/uv/)

To download the dependencies:
```bash
uv sync --all-groups
```

Then you can run jupyter lab to run notebooks:
```bash
uv run jupyter lab
```

### With conda, pip or other tools

You can find the list of the dependencies and specific version in the `pyproject.toml` file

## Funding declaration

This work was funded by LuxIMPULSE, Luxembourg national program managed by the Luxembourg Space Agency and implemented by the European Space Agency, ISOMOON grant (ZYAJH; ESA RFP/3-15942/19/NL/MH/mg), and by FNR CORE program, LUNAQUA grant (C21/SR/16167289)

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