org.jmol.api

Interface MOCalculationInterface

public interface MOCalculationInterface

Method Summary
abstract voidcalculate(VolumeDataInterface volumeData, BitSet bsSelected, String calculationType, Point3f[] atomCoordAngstroms, int firstAtomOffset, Vector shells, float[][] gaussians, Hashtable aoOrdersDF, int[][] slaterInfo, float[][] slaterData, float[] moCoefficients)

Method Detail

calculate

public abstract void calculate(VolumeDataInterface volumeData, BitSet bsSelected, String calculationType, Point3f[] atomCoordAngstroms, int firstAtomOffset, Vector shells, float[][] gaussians, Hashtable aoOrdersDF, int[][] slaterInfo, float[][] slaterData, float[] moCoefficients)