Documentation

Version 1.2.0 Beta 1

2. Entity Traversal Plugins

Entity Traversal plugins handle the traversal of atomic and molecular entities in time and space for the calculation of interactions.

2.1. BasicCellTraverser

This Entity Traversal plugin divides the simulation space up into cells for multi-threaded calculation. It also maintains, for each cell, a list of adjacent atoms (outside the cell, but close to it) that can be included in calculation, but that can't be modified.

2.1.1. Configuration

The following is an example of how to configure the BasicCellTraverser plugin in the simulation specification file.

  ...
  <parameter name="baseDirectory" value="c:/NanoHive-1" />
  ...
  <simulationFlow ...
    ...
    <traverser name="traverser" plugin="BasicCellTraverser">
      <parameter name="cellLength" value="1e-10" />
      <parameter name="cutoffDistance" value="1e-11" />
    </traverser>

Table 5.7. BasicCellTraverser Configuration Parameters

ParameterDescription
cellLengthThe length of each cubic cell in meters.
cutoffDistanceThe width of the read-only border around each cell.


This illustration shows the parameters and how they specify the cells.

2.2. RC_Traverser

This traverser just passes the entire simulation space to the Physical Interaction plugins.


Last Modified: 5/17/2006