LIBROS DEL AUTOR: ajith gunaratne

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  • Classical Approach to Constrained and Unconstrained Molecular Dynamics
    Ajith Gunaratne
    In this book, we propose a penalty-function method for constrained molecular dynamics simulation by defining a quadratic penalty function for the constraints. The simulation with such a method can be done by using a conventional, unconstrained solver only with the penalty parameter increased in an appropriate manner as the simulation proceeds. More specifically, we scale the co...
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