Corresponding scientific article:
Corresponding PhD Thesis:
Repository archive on Zenodo:
- PyFDD is a software for fitting channeling data for lattice location;
- Load your data into a Data Pattern to prepare the channeling data;
- Import Simulations Libraries in the .2dl format;
- Use the Fit Manager for fitting;
- For learning how to use the API, start with the examples folder.
- Download the executable from github as use it as it is.
To use PyFDD you must first have python3 and pip installed. If you download python from python.org and use a version >=3.4 it will come with pip.
pip version >= 19.3 is required.
To install PyFDD on linux run,
$ pip3 install git+https://github.com/edbosne/pyfdd.git#egg=pyfdd
To upgrade,
pip3 install --upgrade git+https://github.com/edbosne/pyfdd.git#egg=pyfdd
If you will be using it in jupyter, and you should, you can install it with
$ pip3 install jupyter
To launch a notebook use the command,
jupyter notebook
To install PyFDD on windows run (the command can be "py" or "python" depending on how you installed it),
$ python -m pip install https://github.com/edbosne/pyfdd/archive/master.zip
To upgrade an installed version use,
pip install --upgrade https://github.com/edbosne/pyfdd/archive/master.zip
If you will be using it in jupyter, and you should, you can install it with
$ py -m pip install jupyter
To launch a notebook use the command,
py -m notebook
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The DataPattern class holds the pattern from the measurement, the angular calibration and has the necessary tools to set up the pattern for fitting.
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The Lib2dl class reads 2dl libraries and puts them in the format that is necessary for the fit.
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The Fit class does the fit. If one need to do one single fit for testing this class can be used but for regular analysis the FitManager class is advised.
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The FitManager is the general purpose fit class and the most used in practice. It can fit a pattern over several lattice sites and outputs the results in a .csv file that can be opened with excel.
PyFDD is open source under a GPL3 license. Please look at the LICENCE.txt file for more info.