public class Energies
extends java.lang.Object
Modifier and Type | Field and Description |
---|---|
EnergyFunction |
currentFunction |
java.util.Hashtable<java.lang.String,java.util.Hashtable<java.lang.String,java.lang.Float>> |
hashEpsilon |
java.util.Hashtable<java.lang.String,java.util.Hashtable<java.lang.String,java.lang.Float>> |
hashSigma |
java.lang.Double |
lowestValue |
float |
masterEpsilon |
float |
masterSigma |
Constructor and Description |
---|
Energies(Atom_Level_Minimizer algo) |
Modifier and Type | Method and Description |
---|---|
float |
calculateLJPotential(javax.vecmath.Point3f a,
javax.vecmath.Point3f b,
java.lang.Float r0,
float distance,
float epsilonTimes4) |
double |
getLowestValuePossibleMultiplied() |
double |
totalEnergy(Atom atom) |
double |
totalInternalEnergy(Atom atom) |
public java.util.Hashtable<java.lang.String,java.util.Hashtable<java.lang.String,java.lang.Float>> hashEpsilon
public java.util.Hashtable<java.lang.String,java.util.Hashtable<java.lang.String,java.lang.Float>> hashSigma
public float masterEpsilon
public float masterSigma
public EnergyFunction currentFunction
public java.lang.Double lowestValue
public Energies(Atom_Level_Minimizer algo)
public float calculateLJPotential(javax.vecmath.Point3f a, javax.vecmath.Point3f b, java.lang.Float r0, float distance, float epsilonTimes4)
public double totalEnergy(Atom atom)
public double totalInternalEnergy(Atom atom)
public double getLowestValuePossibleMultiplied()