Classical Approach to Constrained and Unconstrained Molecular Dynamics - Ajith Gunaratne - Bøker - Xlibris US - 9781984535870 - 21. juli 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.

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Utgitt 21. juli 2018
ISBN13 9781984535870
Utgivere Xlibris US
Antall sider 146
Mål 216 × 216 × 10 mm   ·   376 g
Språk Engelsk