org.jmol.adapter.readers.more

Class MopacData

public class MopacData extends Object

Field Summary
static float[]	fact
static float[]	factorDs
static float	fourPi
static int[]	pnqD
static int[]	principalQuantumNumber

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)
static int	getNPQ(int atomicNumber)
static int	getNPQd(int atomicNumber)
static int	getNPQp(int atomicNumber)
static int	getNPQs(int atomicNumber)
static boolean	isNoble(int atomicNumber)

Field Detail

fact

private static final float[] fact

factorDs

private static final float[] factorDs

fourPi

private static final float fourPi

pnqD

private static final int[] pnqD

principalQuantumNumber

private static final int[] principalQuantumNumber

Method Detail

getFactorD

public static float getFactorD(int n)

getMopacConstD

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

getMopacConstP

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

getMopacConstS

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

getNPQ

private static final int getNPQ(int atomicNumber)

getNPQd

public static final int getNPQd(int atomicNumber)

getNPQp

public static final int getNPQp(int atomicNumber)

getNPQs

public static final int getNPQs(int atomicNumber)

isNoble

private static final boolean isNoble(int atomicNumber)