Metadata-Version: 2.1
Name: sierras
Version: 0.0.1
Summary: Perform arrhenius type plots for diffusion coefficients
Home-page: https://github.com/fernandezfran/sierras
Author: Francisco Fernandez
Author-email: fernandezfrancisco2195@gmail.com
License: The MIT License
Description: # sierras
        
        [![Github Actions CI](https://github.com/fernandezfran/sierras/actions/workflows/sierras_ci.yml/badge.svg)](https://github.com/fernandezfran/sierras/actions/workflows/sierras_ci.yml)
        [![Documentation Status](https://readthedocs.org/projects/sierras/badge/?version=latest)](https://sierras.readthedocs.io/en/latest/?badge=latest)
        [![PyPI](https://img.shields.io/pypi/v/sierras)](https://pypi.org/project/sierras/)
        [![https://github.com/leliel12/diseno_sci_sfw](https://img.shields.io/badge/DiSoftCompCi-FAMAF-ffda00)](https://github.com/leliel12/diseno_sci_sfw)
        
        **sierras** is a python module that allows to perform arrhenius plots for
        diffusion coefficients and extrapolate to desired temperatures.
        
        
        ## Motivation
        
        Obtaining room temperature trace diffusion coefficients from computational 
        simulations exceeds the reasonable computational time that a simulation may 
        require. Therefore, it is necessary to measure at different high temperatures, 
        where diffusive processes are favored, to fit through an Arrhenius equation 
        type and extrapolate to room temperature.
        
        
        ## Requirements
        
        You need Python 3.9+ to run sierras.
        
        
        ## Installation
        
        ### Stable release
        
        To install the most recent stable release of sierras with [pip](https://pip.pypa.io/en/stable/), 
        run the following command in your termninal:
        
        ```bash
        pip install sierras
        ```
        
        ### From sources
        
        To installing it from sources you can clone this [GitHub repo](https://github.com/fernandezfran/sierras) 
        
        ```bash
        git clone https://github.com/fernandezfran/sierras.git
        ```
        
        and inside your local directory install it in the following way 
        
        ```bash
        pip install -e .
        ```
        
        ## Usage
        
        To start using sierras you can read the tutorial and the API.
        
        
        ## License
        
        [MIT License](https://github.com/fernandezfran/sierras/blob/master/LICENSE)
        
        
        ### Contact info
        
        <fernandezfrancisco2195@gmail.com>
        
Keywords: sierras,arrhenius plot,diffusion coeficient
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.9
Classifier: Topic :: Scientific/Engineering
Description-Content-Type: text/markdown
