org.jmol.api
Interface MOCalculationInterface
- All Known Implementing Classes:
- MOCalculation
public interface MOCalculationInterface
Method Summary |
void |
calculate(VolumeDataInterface volumeData,
BitSet bsSelected,
String calculationType,
Point3f[] atomCoordAngstroms,
int firstAtomOffset,
List shells,
float[][] gaussians,
int[][] dfCoefMaps,
Object slaters,
float[] moCoefficients,
float[] nuclearCharges,
boolean doNormalize)
|
void |
calculateElectronDensity(float[] nuclearCharges)
|
calculate
void calculate(VolumeDataInterface volumeData,
BitSet bsSelected,
String calculationType,
Point3f[] atomCoordAngstroms,
int firstAtomOffset,
List shells,
float[][] gaussians,
int[][] dfCoefMaps,
Object slaters,
float[] moCoefficients,
float[] nuclearCharges,
boolean doNormalize)
calculateElectronDensity
void calculateElectronDensity(float[] nuclearCharges)