Constrained impulsive molecular dynamics
- 10 April 1981
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 42 (5) , 1233-1143
- https://doi.org/10.1080/00268978100100921
Abstract
An exact procedure for treating the molecular dynamics of holonomically constrained systems in the presence of impulsive forces is presented. Because of its simplicity it can be applied not only to purely impulsive situations, but (if it is used in conjunction with existing continuous forces constrained dynamics algorithms) to combined impulsive/continuous force systems as well. The possibility of application to fused hard sphere and polymer dynamics is discussed in some detail.Keywords
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