org.jmol.adapter.readers.more
Class MopacData

java.lang.Object
  extended by org.jmol.adapter.readers.more.MopacData

public class MopacData
extends java.lang.Object


Field Summary
private static float[] fact
           
private static float[] factorDs
           
private static float fourPi
           
private static int[] pnqD
           
private static int[] principalQuantumNumber
           
 
Constructor Summary
MopacData()
           
 
Method Summary
static float getFactorD(int n)
           
static float getMopacConstD(int atomicNumber, float zeta)
           
static float getMopacConstP(int atomicNumber, float zeta)
           
static float getMopacConstS(int atomicNumber, float zeta)
           
private static int getNPQ(int atomicNumber)
           
static int getNPQd(int atomicNumber)
           
static int getNPQp(int atomicNumber)
           
static int getNPQs(int atomicNumber)
           
private static boolean isNoble(int atomicNumber)
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

principalQuantumNumber

private static final int[] principalQuantumNumber

pnqD

private static final int[] pnqD

fact

private static final float[] fact

fourPi

private static final float fourPi
See Also:
Constant Field Values

factorDs

private static final float[] factorDs
Constructor Detail

MopacData

public MopacData()
Method Detail

isNoble

private static final boolean isNoble(int atomicNumber)

getNPQ

private static final int getNPQ(int atomicNumber)

getNPQs

public static final int getNPQs(int atomicNumber)

getNPQp

public static final int getNPQp(int atomicNumber)

getNPQd

public static final int getNPQd(int atomicNumber)

getMopacConstS

public static final float getMopacConstS(int atomicNumber,
                                         float zeta)

getMopacConstP

public static final float getMopacConstP(int atomicNumber,
                                         float zeta)

getFactorD

public static float getFactorD(int n)

getMopacConstD

public static final float getMopacConstD(int atomicNumber,
                                         float zeta)