HASlib - Python / jupyter interface for quantum mechnanical scattering calculations based on the close-coupling algorithm.

Python / jupyter interface for the analysis of helium atom scattering measurements and quantum mechanical scattering calculations based on the close-coupling algorithm. (see also the following Publications: [1,2,3,4] )

Short summary of the HASlib setup on a local PC:

• first python needs to be installed via the anaconda navigator
• copy the Haslib files into a folder
• open the Anaconda shell and go to the directory and into the haslib (where the setup.py is located)
• to be able to install haslib the following packages have to be installed:
  cython, pytest, tabulate, matplotlib, scipy, numpy, pillow, sphinx, sphinx_rtd_theme, pytest-benchmark i.e.:pip install cython
• visual Studio needs to be installed on a Windows machine
• install haslib with the command python setup.py develop
• copy the complete folder to the anaconda folder (C:\Anaconda\Lib\side-packages)
• the functions should work in a spyder/jupyter environement (test with import haslib)