TwoElectronIntegrals (Episteme API Documentation)

java.lang.Object

org.episteme.natural.chemistry.computational.quantum.TwoElectronIntegrals

public class TwoElectronIntegrals extends Object

Holds Two-Electron Repulsion Integrals (ERIs). Stored as a flattened array for efficiency in compute kernels.

Since:: 1.0
Author:: Silvere Martin-Michiellot, Gemini AI (Google DeepMind)

Constructor Summary

Constructors

Constructor

Description

TwoElectronIntegrals(double[] data, int basisSize)
Method Summary

Modifier and Type

Method

Description

int

getBasisSize()

double[]

getData()

Methods inherited from class Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details
- TwoElectronIntegrals
  
  public TwoElectronIntegrals(double[] data, int basisSize)
Method Details
- getData
  
  public double[] getData()
- getBasisSize
  
  public int getBasisSize()