EXAFS Neo utilize Genetic algorithm in fitting Extended X-ray absorption fine structure(EXAFS).
It is highly recommend to utilize anaconda
or pipx
package managers to prevent unforseen dependency conflicts. EXAFS Neo uses larch
to process the x-ray spectrum.
- Python: 3.x
- Numpy: 1.17.2
- Larch: >0.9.46
- Matplotlib: 3.1.2
It is highly recommend to create a new environment in anaconda
to run EXAFS Neo to prevent packages conflicts.
conda create --name exafs python=3.7 numpy matplotlib pyqt
conda activate exafs
conda install -yc GSECARS xraylarch
To install EXAFS Neo, simply clone the repo:
git clone https://github.com/laumiulun/EXAFS-Neo-Public.git
cd EXAFS-Neo-Public/
python setup.py install
To run a sample test, make sure the enviornment is set correctly, and select a input file:
exafs -i test/test.ini
We also have provided a GUI for use in additions to our program, with additional helper script to facilitate post analysis. To use the GUI:
cd gui
python XAFS_GUI.py
TBA