public interface MOCalculationInterface
Modifier and Type | Method and Description |
---|---|
void |
calculate(VolumeDataInterface volumeData,
java.util.BitSet bsSelected,
java.lang.String calculationType,
javax.vecmath.Point3f[] atomCoordAngstroms,
int firstAtomOffset,
java.util.List shells,
float[][] gaussians,
int[][] dfCoefMaps,
java.lang.Object slaters,
float[] moCoefficients,
float[] nuclearCharges,
boolean doNormalize) |
void |
calculateElectronDensity(float[] nuclearCharges) |
void calculate(VolumeDataInterface volumeData, java.util.BitSet bsSelected, java.lang.String calculationType, javax.vecmath.Point3f[] atomCoordAngstroms, int firstAtomOffset, java.util.List shells, float[][] gaussians, int[][] dfCoefMaps, java.lang.Object slaters, float[] moCoefficients, float[] nuclearCharges, boolean doNormalize)
void calculateElectronDensity(float[] nuclearCharges)