Class MolecularDynamics

java.lang.Object

org.episteme.natural.chemistry.MolecularDynamics

public class MolecularDynamics
extends Object

A simple molecular dynamics engine using a spring-mass model.

Since:

1.0

Author:

Silvere Martin-Michiellot, Gemini AI (Google DeepMind)

Constructor Summary

Constructors

Constructor	Description
MolecularDynamics()

Method Summary

Modifier and Type	Method	Description
static void	setProvider(MolecularDynamicsProvider p)
static void	step(Molecule molecule, double dt)	Legacy step method for double.
static void	step(Molecule molecule, Real dt)	Performs a single simulation step.

Methods inherited from class Object

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

Constructor Details

MolecularDynamics

public MolecularDynamics()

Method Details

setProvider

public static void setProvider(MolecularDynamicsProvider p)

step

public static void step(Molecule molecule,
 Real dt)

Performs a single simulation step.

Parameters:

molecule - The molecule to simulate

dt - Time step in seconds

step

public static void step(Molecule molecule,
 double dt)

Legacy step method for double.