VolumeRescale
SimulationBuilder > MD > SimulationComponents
This rescales the simulation box toward target number density and box dimension aspect ratio.
There are two options for creating a VolumeRescale instance: * Given target number density, number steps to reach target, rescaling frequency and the target aspect ratio of the box. * Given target dimensions, number steps to reach target and rescaling frequency.
Synopsis
#include <glotzilla++.h> double numberDensity = 0.2; int steps = 100000; // reach numberDensity after 100000 steps int frequency = 10; // rescale every 10 steps double xRatio = 1.0; double yRatio = 2.0; double zRatio = 1.0; //declare an instance VolumeRescale *rescale = new VolumeRescale(numberDensity, steps, frequency, xRatio, yRatio, zRatio); //add the SystemComponent to the simulation AddSimulationComponent(rescale);
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