WallLJ126

  1. WallLJ126
    1. Synopsis
    2. Tutorials
    3. External Links
    4. Related

SimulationBuilder > MD > SimulationComponents

This implements confined walls for the simulation box. The interaction between walls and particles is the truncated and shifted 12-6 Lennard-Jones potential. The walls can be set in 3 directions x, y and z. The non-confined direction is periodic. These walls are coupled with the simulation box as it resizes.

The arguments for an instance's constructor include: the wall position, epsilon, sigma and cutoff range for the Lennard-Jones potential.

Synopsis

#include <glotzilla++.h>

//declare an instance
WallLJ126 *wall1 = new WallLJ126(WallLJ126::_XLO, 1.0, 1.0, 1.122);
WallLJ126 *wall2 = new WallLJ126(WallLJ126::_XHI, 1.0, 1.0, 2.5);

//add these SystemComponents to the simulation
AddSimulationComponent(wall1); 
AddSimulationComponent(wall2);

Tutorials

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