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); 

Tutorials

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