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Disordered materials modelling and single crystal diffuse scattering calculator

Project description

Javelin is inspired by DISCUS. It is written in python using modern

tools, Matplotlib and VTK for plotting, pandas for storing the atomic structure and xarray for storing scattering simulations. It is designed to play well with other atomic structure analysis programs such as ASE and diffpy.

The scope of javelin is limited to X-ray and neutron single crystal nuclear and magnetic diffuse scattering. It will have the ability to model disorered structure and refine the structure against experimental data.

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