Displacements over multiple periodic cells

malramsay64 / statdyn-analysis

Collection of tools for the statistical dynamics analysis of Molecular Dynamics trajectories.

MIT License

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Displacements over multiple periodic cells #71

Closed malramsay64 closed 5 years ago

malramsay64 commented 5 years ago

I believe that the gsd file tracks the image of the particle which would allow the calculation of displacements over distances of greater than half the box length. This is an issue I am running into with higher temperature simulations and having to filter the data is problematic.