Package ffx.numerics.multipole

Class MultipoleTensorTest

java.lang.Object
ffx.utilities.FFXTest
ffx.numerics.multipole.MultipoleTensorTest
public class MultipoleTensorTest extends FFXTest
Parameterized Test of the MultipoleTensor class.
Since:
1.0
Author:
Michael J. Schnieders

  • Field Details

    • xyz

      protected static final double[] xyz

    • Qi

      protected static final double[] Qi

    • Qk

      protected static final double[] Qk

    • permanentEnergy

      protected static final double permanentEnergy
      See Also:

    • permTorqueI

      protected static final double[] permTorqueI

    • permTorqueK

      protected static final double[] permTorqueK

    • permanentEnergyEwald

      protected static final double permanentEnergyEwald
      See Also:

    • permTorqueIEwald

      protected static final double[] permTorqueIEwald

    • permTorqueKEwald

      protected static final double[] permTorqueKEwald

    • scaleMutual

      protected static final double scaleMutual
      See Also:

    • Ui

      protected static final double[] Ui

    • Uk

      protected static final double[] Uk

    • polarizationEnergyCoulomb

      protected static final double polarizationEnergyCoulomb
      See Also:

    • polarGradICoulomb

      protected static final double[] polarGradICoulomb

    • polarTorqueICoulomb

      protected static final double[] polarTorqueICoulomb

    • polarTorqueKCoulomb

      protected static final double[] polarTorqueKCoulomb

    • polarizationEnergyThole

      protected static final double polarizationEnergyThole
      See Also:

    • polarGradIThole

      protected static final double[] polarGradIThole

    • polarTorqueIThole

      protected static final double[] polarTorqueIThole

    • polarTorqueKThole

      protected static final double[] polarTorqueKThole

    • UiEwald

      protected static final double[] UiEwald

    • UkEwald

      protected static final double[] UkEwald

    • polarizationEnergyEwald

      protected static final double polarizationEnergyEwald
      See Also:

    • polarGradIEwald

      protected static final double[] polarGradIEwald

    • polarTorqueIEwald

      protected static final double[] polarTorqueIEwald

    • polarTorqueKEwald

      protected static final double[] polarTorqueKEwald

    • amoebaPlusMPoleEnergyOO

      protected static final double amoebaPlusMPoleEnergyOO
      See Also:

    • amoebaPlusMPoleEnergyOH

      protected static final double amoebaPlusMPoleEnergyOH
      See Also:

    • amoebaPlusIndDipoleEnergyOO

      protected static final double amoebaPlusIndDipoleEnergyOO
      See Also:

    • amoebaPlusIndDipoleEnergyOH

      protected static final double amoebaPlusIndDipoleEnergyOH
      See Also:

    • amoebaPlusChargeTransferEnergy

      protected static final double amoebaPlusChargeTransferEnergy
      See Also:

    • chargePenAlphaOx

      protected static final double chargePenAlphaOx
      See Also:

    • chargePenAlphaHyd

      protected static final double chargePenAlphaHyd
      See Also:

    • chrgTranParamsOx

      protected static final double[] chrgTranParamsOx

    • QiXYZ

      protected static final double[] QiXYZ

    • Zi

      protected static final double Zi
      See Also:

    • QiAmoebaP

      protected static final double[] QiAmoebaP

    • QiInduced

      protected static final double[] QiInduced

    • QkXYZ

      protected static final double[] QkXYZ

    • Zk

      protected static final double Zk
      See Also:

    • QkAmoebaP

      protected static final double[] QkAmoebaP

    • QkInduced

      protected static final double[] QkInduced

    • QjAmoebaP

      protected static final double[] QjAmoebaP

    • QjInduced

      protected static final double[] QjInduced

    • QjXYZ

      protected static final double[] QjXYZ

    • Zj

      protected static final double Zj
      See Also:

    • QlAPlusEwal

      protected static final double[] QlAPlusEwal

    • QmAplusEwal

      protected static final double[] QmAplusEwal

    • xyzEwaldAPlus

      protected static final double[] xyzEwaldAPlus

  • Constructor Details

    • MultipoleTensorTest

      public MultipoleTensorTest(String info, int order)

  • Method Details

    • data

      public static Collection<Object[]> data()

    • tensorCountTest

      public void tensorCountTest()
      Test of tensorCount method, of class MultipoleTensor.
      Since:
      1.0

    • tensorIndexTest

      public void tensorIndexTest()
      Test of ti method, of class MultipoleTensor.