Constant Field Values

Contents

• ffx.numerics.*

ffx.numerics.*

ffx.numerics.multipole.GKTensorGlobalTest

Modifier and Type	Constant Field	Value
public static final double	bornI	1.403320706062232
public static final double	bornK	1.403320706062232
public static final double	permGradBorn	0.00259818631355
public static final double	polGradBorn	-2.62931043709E-4
public static final double	polGradBornDirect	-1.2579258301E-4
public static final double	watPermEnergy	-0.086259327778797
public static final double	watPolDirect	1.2566788454800026E-4
public static final double	watPolEnergy	-1.922218331000536E-5
public static final double	watTotalDirect	-0.086133659894249
public static final double	watTotalEnergy	-0.086278549962107

ffx.numerics.multipole.MultipoleTensorTest

Modifier and Type	Constant Field	Value
protected static final double	amoebaPlusChargeTransferEnergy	-0.0427
protected static final double	amoebaPlusIndDipoleEnergyOH	-0.2283
protected static final double	amoebaPlusIndDipoleEnergyOO	7.467554508544478E-4
protected static final double	amoebaPlusMPoleEnergyOH	-0.03375517153765406
protected static final double	amoebaPlusMPoleEnergyOO	0.08695924797387633
protected static final double	chargePenAlphaHyd	3.2541
protected static final double	chargePenAlphaOx	4.0047
protected static final double	permanentEnergy	0.08861401274679
protected static final double	permanentEnergyEwald	0.00127569306712
protected static final double	polarizationEnergyCoulomb	-0.002576831234958
protected static final double	polarizationEnergyEwald	-7.8870483232E-5
protected static final double	polarizationEnergyThole	3.6672468E-8
protected static final double	scaleMutual	1.0
protected static final double	Zi	8.0
protected static final double	Zj	1.0
protected static final double	Zk	8.0