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Low-dimensional PCA-derived manifolds and everything in between!

Modified version of Cantera used for PoKiTT

A set of utilities written in python for optimizing dissipative particle dynamics (DPD) parameters from properties obtained via molecular dynamics simulations.

This is a minimum working example of a C++ code that gets compiled into a static library using CMake, to which we link a Cython interface (a submodule) callable from Python.