org.jmol.api
Interface MOCalculationInterface

All Known Implementing Classes:

MOCalculation

public interface MOCalculationInterface

Method Summary

void

calculate(VolumeDataInterface volumeData, java.util.BitSet bsSelected, java.lang.String calculationType, javax.vecmath.Point3f[] atomCoordAngstroms, int firstAtomOffset, java.util.Vector shells, float[][] gaussians, java.util.Hashtable aoOrdersDF, int[][] slaterInfo, float[][] slaterData, float[] moCoefficients)

Method Detail

calculate

void calculate(VolumeDataInterface volumeData,
               java.util.BitSet bsSelected,
               java.lang.String calculationType,
               javax.vecmath.Point3f[] atomCoordAngstroms,
               int firstAtomOffset,
               java.util.Vector shells,
               float[][] gaussians,
               java.util.Hashtable aoOrdersDF,
               int[][] slaterInfo,
               float[][] slaterData,
               float[] moCoefficients)