falass is a pure python library for the calculation of neutron and X-ray relectometry data from molecular simulation.
This was originally developed during a co-funded PhD studentship split between the University of Bath and Diamond Light Source.
An example Jupyter notebook showing the usage of falass is available from the GitHub source: https://github.com/arm61/falass
If you have any question or idea for development please get in touch: firstname.lastname@example.org
- Test documentation
- Greater functionalisation
- Greater test coverage
- Subsequent analysis of the MD trajectory