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dynamiq_samplers

MC samplers for dynamiq-md projects

To start, this will contain initial condition samplers. At the beginning, this is just sampling from Gaussians (which ends up being a very useful way to do sampling for SC-IVR calculations).

This will eventually be united into a common framework with the samplers developed in OpenPathSampling. After all, initial condition sampling of trajectories is just a subset of path sampling.

These particular samplers are specifically designed to support Monte Carlo integration schemes, as used in SC-IVR calculations.

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MC samplers for dynamiq-md projects

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