Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
521112 | Journal of Computational Physics | 2008 | 11 Pages |
Abstract
We address the problem of imposing rigid constraints between connected sites in a dynamic computer simulation. For two important cases, the linear and ring topologies, each site is connected to at most two nearest neighbors. The constraint matrix is then invertible in order n operations. We show that, this being the case, a computational method based on a matrix inversion of the linearized constraint equations (MILC SHAKE) can be orders of magnitude faster than the simple SHAKE or RATTLE methods.
Related Topics
Physical Sciences and Engineering
Computer Science
Computer Science Applications
Authors
A.G. Bailey, C.P. Lowe, A.P. Sutton,