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Surfaces, Microstructure and Fracture Group

 

PIGLE is a simulator for the dynamics of multi species interacting particles responding to a 4D potential energy surface (3 spatial dimensions and one dimension for rigid body rotations), obeying to the generalized Langevin Equation.

PIGLE - Particles Interacting in Generalized Langevin Equation simulator
Release: 1.0.0-beta2
DOI: 10.5281/zenodo.2025809
Link: https://doi.org/10.5281/zenodo.2025809
For questions and support contact na364@cam.ac.uk

PIGLE is a simulator for the dynamics of multi species interacting particles responding to a 4D potential energy surface (3 spatial dimensions and one dimension for rigid body rotations), obeying to the generalized Langevin Equation.

The package provide means to compute statistics on the simulated trajectories - in the form of computing the Intermediate Scattering Function (both coherent and Incoherent). Furthermore, the package provides the means to expand the trajectories of the simulated point particles, to trajectories of configuration of scattering centers - allowing to calculate the ISF of a more realistic representation of the particle. Visualization means are provided as well.

The development of the package was financially supported by the Blavatnik Foundation and the Herchel Smith fund.