|
|
| Line 1: |
Line 1: |
| A '''Verlet list''' (named after [[Loup Verlet]]) is a data structure in [[molecular dynamics]] simulations to efficiently maintain a list of all particles within a given cut-off distance of each other.<ref name="Verlet1967">{{cite journal |author=Verlet, L. |title=Computer 'experiments' on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules |journal=Phys. Rev. |volume=159 |page=98–103 |year=1967}}</ref>
| | Andrew Simcox is the name his mothers and fathers gave him and he completely loves this title. Mississippi is the only place I've been residing in but I will have to transfer in a yr or two. To climb is some thing I truly appreciate doing. accurate psychic readings ([http://www.weddingwall.com.au/groups/easy-advice-for-successful-personal-development-today/ www.weddingwall.com.au]) Office supervising is where her primary earnings comes from but she's already applied for an additional 1.<br><br>Look into my homepage :: love [http://www.seekavideo.com/playlist/2199/video/ telephone psychic] ([http://Www.Aseandate.com/index.php?m=member_profile&p=profile&id=13352970 my webpage]) |
| | |
| This method may easily be applied to Monte Carlo simulations. For short-range interactions, a cut-off radius is typically used, beyond which particle interactions are considered "close enough" to zero to be safely ignored. For each particle, a Verlet list is constructed that lists all other particles within the potential cut-off distance, plus some extra distance so that the list may be used for several consecutive [[Monte Carlo method|Monte Carlo]] "sweeps" before being updated. If we wish to use the same Verlet list n times before updating, then the cut-off distance for inclusion in the Verlet list should be <math>R_c + 2nd</math>, where <math>R_c</math> is the cut-off distance of the potential, and <math>d</math> is the maximum Monte Carlo step of a single particle. Thus, we will spend of order <math>N^2</math> time to compute the Verlet lists (<math>N</math> is the total number of particles), but are rewarded with <math>n</math> Monte Carlo "sweeps" of order <math>Nn^2</math> (instead of <math>NN</math>). Optimizing our choice of <math>n</math>, it can be shown that the <math>O(N^2)</math> problem of Monte Carlo sweeps has been converted to an <math>O(N^{5/3})</math> problem by using Verlet lists.
| |
| | |
| Using [[cell lists]] to identify the nearest neighbors in <math>O(N)</math> further reduces the computational cost.
| |
| | |
| ==See also==
| |
| *[[Cell lists]]
| |
| *[[Verlet integration]]
| |
| *[[Fast multipole method]]
| |
| | |
| ==References==
| |
| {{reflist}}
| |
| | |
| ==External links==
| |
| *[http://www.physics.helsinki.fi/courses/s/atomistiset/lecturenotes/2004/landscape3a.pdf Constructing a Neighbour List] — from ''Introduction to Atomistic Simulations'' course at the [[University of Helsinki]].
| |
| | |
| [[Category:Molecular dynamics]]
| |
| [[Category:Computational chemistry]]
| |
| | |
| | |
| {{Comp-sci-stub}}
| |
Latest revision as of 17:20, 19 October 2014
Andrew Simcox is the name his mothers and fathers gave him and he completely loves this title. Mississippi is the only place I've been residing in but I will have to transfer in a yr or two. To climb is some thing I truly appreciate doing. accurate psychic readings (www.weddingwall.com.au) Office supervising is where her primary earnings comes from but she's already applied for an additional 1.
Look into my homepage :: love telephone psychic (my webpage)