-PYCV is a module for the PLUMED 2 library which enables users to define CVs and arbitrary functions in the Python language. CV implementations may thus be modified and tested independently of the main code, with essentially no "test latency". Of note, coordinates are processed as numpy arrays, making it convenient to leverage the vast set of linear algebra and numerical algorithms provided by numpy, scipy, and many other open-source modules. Furthermore, just-in-time compilation and reverse-mode automatic differentiation are easily accessible using Google's JAX library.
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