Skip to content

Correlation function modifier

This merge request implements an new modifier that computes spatial correlation functions in real and reciprocal space up to a distance of half the simulation cell - such as the pair distribution function and the structure factor as the simplest example.

The modifier uses FFTW to compute the Fourier transform and is implemented as a separate plugin. CMake files are currently setup for Linux only and probably need to expanded to compile on MacOS and Windows.

Merge request reports

Loading