Simulating dynamics in the double-barrel model
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چکیده
Mathematical details are provided for the simulation of the double-barrel model. The system assumes overdamped Langevin dynamics (Brownian motion) and numerical integration was performed using a first-order scheme in time. The construction of the model permits consistent coarse-graining with respect to the number of particles in a cluster, effectively allowing tuning of the number of degrees of freedom, or the dimensionality of the configuration space.
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