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OpenMM-dlext

The plugin is intended to provide a OpenMM::Force derived class that does no direct computation, but instead uses DLPack wrappers around CPU or GPU OpenMM::Platform data for an initialized instance of OpenMM::Contex, and a callback interface to perform computations on such data outside the plugin.

Usage

The wrappers around the simulation data are intended to be instantiated after the OpenMM::ContextImpl for a particular simulation has been created.