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java.lang.Objectorg.jmol.quantum.QuantumCalculation
org.jmol.quantum.MepCalculation
public class MepCalculation
Nested Class Summary |
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Nested classes/interfaces inherited from class org.jmol.quantum.QuantumCalculation |
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QuantumCalculation.QMAtom |
Field Summary |
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Fields inherited from class org.jmol.quantum.QuantumCalculation |
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atomIndex, bohr_per_angstrom, doDebug, nX, nY, nZ, originBohr, qmAtoms, rangeBohr, stepBohr, thisAtom, voxelData, X, X2, xBohr, xMax, xMin, Y, Y2, yBohr, yMax, yMin, Z, Z2, zBohr, zMax, zMin |
Constructor Summary | |
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MepCalculation()
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Method Summary | |
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void |
calculate(VolumeDataInterface volumeData,
java.util.BitSet bsSelected,
javax.vecmath.Point3f[] atomCoordAngstroms,
float[] charges)
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private void |
processMep(float[] charges)
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Methods inherited from class org.jmol.quantum.QuantumCalculation |
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initialize, setupCoordinates |
Methods inherited from class java.lang.Object |
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clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Constructor Detail |
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public MepCalculation()
Method Detail |
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public void calculate(VolumeDataInterface volumeData, java.util.BitSet bsSelected, javax.vecmath.Point3f[] atomCoordAngstroms, float[] charges)
calculate
in interface MepCalculationInterface
private void processMep(float[] charges)
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