Classical Approach to Constrained and Unconstrained Molecular Dynamics - Ajith Gunaratne - Knihy - Xlibris US - 9781984535870 - 21. júla 2018
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Classical Approach to Constrained and Unconstrained Molecular Dynamics

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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 constraints with their force constants when forming the penalty terms.

Médium Knihy     Paperback Book   (Kniha s mäkkou väzbou a lepeným chrbtom)
Vydané 21. júla 2018
ISBN13 9781984535870
Vydavatelia Xlibris US
Strany 146
Rozmery 216 × 216 × 10 mm   ·   376 g
Jazyk Angličtina