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java.lang.Objectorg.jmol.quantum.QuantumCalculation
org.jmol.quantum.MepCalculation
public class MepCalculation
Field Summary | |
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(package private) float[] |
charges
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Fields inherited from class org.jmol.quantum.QuantumCalculation |
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atomCoordAngstroms, atomCoordBohr, atomIndex, atomSet, bohr_per_angstrom, countsXYZ, doDebug, originBohr, stepBohr, voxelData, X, X2, xMax, xMin, xyzBohr, Y, Y2, yMax, yMin, Z, Z2, 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()
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Methods inherited from class org.jmol.quantum.QuantumCalculation |
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initialize, setMinMax, setupCoordinates, setVolume |
Methods inherited from class java.lang.Object |
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clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Field Detail |
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float[] charges
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()
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