European Centre of Excellence

Supporting HPC simulations in industry and academia through software development, training and discussion in simulation and modeling

Modules of the month

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June

  • ClassMC

    Module ClassMC samples the system phase space using the classical Boltzmann distribution function and calculates the time correlation functions from …
  • Direct MD (on-the-fly) flux/rate in OpenPathSampling

    This module, based on OpenPathSampling, calculates the flux out of a state and through an interface, or the rate of …
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