Class MolecularDynamicsVerlet

java.lang.Object

org.episteme.natural.physics.classical.mechanics.MolecularDynamicsVerlet

All Implemented Interfaces:

Serializable

public class MolecularDynamicsVerlet
extends Object
implements Serializable

Velocity Verlet Integrator for Molecular Dynamics. Provides stable time integration for particle systems. Uses Cell-Linked Lists for O(N) neighbor search.

References:

• Verlet, L. (1967). Computer "experiments" on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules. Physical Review, 159(1), 98.
• Swope, W. C., et al. (1982). A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small clusters of Ar. The Journal of Chemical Physics, 76(1), 637-649.

References:

• Verlet, L. (1967). Computer "experiments" on classical fluids. I. Thermodynamical properties of units of Lennard-Jones molecules. Physical Review, 159(1), 98.
• Hockney, R. W., invalid input: '&' Eastwood, J. W. (1981). Computer Simulation Using Particles. McGraw-Hill. (Cell-Linked Lists for O(N) complexity)

Since:

1.0

Author:

Silvere Martin-Michiellot, Gemini AI (Google DeepMind)

See Also:

• Serialized Form

Constructor Summary

Constructors

Constructor	Description
MolecularDynamicsVerlet(List<Particle> particles, double boxSize, double cutoff)

Method Summary

Modifier and Type	Method	Description
void	step(double dt)

Methods inherited from class Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

MolecularDynamicsVerlet

public MolecularDynamicsVerlet(List<Particle> particles,
 double boxSize,
 double cutoff)

Method Details

step

public void step(double dt)