QENSlibrary is a repository containing models (mathematical functions) that could be used to fit Quasi Elastic Neutron Scattering (QENS) data.
This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 654000.
Support Python 2.7 and 3.6
Python modules to use the models:
Note that additional modules are required to run the examples. Details can be found in the README file of the examples folder.
If you want to use a virtual environment, please go to this link for instructions.
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Download or clone the repository which can be found at the following link
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To install the package to the Python user install directory for your platform, type the following command in a terminal
pip install --user full_path/to/QENSmodels_folder
See the documentation on pip install for additional information. Run pip show QENSmodels to display details about the installed package.
To test the installation, type the following command in a terminal
python -c "import QENSmodels"
To uninstall the library, type
pip uninstall QENSmodels
The documentation is built using Sphinx. The required packages can be
installed using the following commands:
pip install sphinx
pip install sphinx-rtd-theme
pip install sphinxcontrib-napoleon
Other ways of installing Sphinx at be found at
http://www.sphinx-doc.org/en/stable/install.html#
In a terminal, move to the docs folder and type
make html
This command will generate html files in the subfolder _build/html.
Redistribution of the software is permitted under the terms of the General Public License version 3 or higher.
import QENSmodels
value = QENSmodels.lorentzian(1, 1, 1, 1)or copy and paste the script related to the Lorentzian function.
The scripts can be found in the git repository
add list of authors,
"QENS models, version 1",
https://github.com/QENSlibrary/QENSmodels (2018).
Bugs and feature requests are collected at https://github.com/QENSlibrary/QENSmodels/issues.
Add link to websites, email addresses...
- complete README.md files
- add tests
- add models
- add instructions in installation / setup.py for models and documentation