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

Medij Knjige     Paperback Book   (Knjiga z mehkimi platnicami in lepljenim hrbtom)
Izdano 21. julija 2018
ISBN13 9781984535870
Založniki Xlibris US
Strani 146
Dimenzije 216 × 216 × 10 mm   ·   376 g
Jezik Angleščina  

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