Class MulticoreSCFProvider

java.lang.Object

org.episteme.natural.physics.quantum.scf.providers.MulticoreSCFProvider

All Implemented Interfaces:

AlgorithmProvider, SCFProvider

@AutoService(AlgorithmProvider.class)
public class MulticoreSCFProvider
extends Object
implements SCFProvider

Multicore implementation of SCF algorithms. Calculates Form Matrix components in parallel.

Since:

1.2

Author:

Silvere Martin-Michiellot, Gemini AI (Google DeepMind)

Constructor Summary

Constructors

Constructor	Description
MulticoreSCFProvider()

Method Summary

Modifier and Type	Method	Description
void	computeFockMatrix(double[] P, double[] H, double[] ERIs, double[] F, int n)
void	computeFockMatrix(float[] P, float[] H, float[] ERIs, float[] F, int n)
void	computeFockMatrix(Real[] P, Real[] H, Real[] ERIs, Real[] F, int n)
String	getName()
int	getPriority()	Returns the execution priority (higher is better).

Methods inherited from class Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface AlgorithmProvider

description, getMetadata, isAvailable, score, shutdown

Methods inherited from interface SCFProvider

getAlgorithmType

Constructor Details

MulticoreSCFProvider

public MulticoreSCFProvider()

Method Details

getPriority

public int getPriority()

Description copied from interface: AlgorithmProvider

Returns the execution priority (higher is better).

Specified by:

getPriority in interface AlgorithmProvider

computeFockMatrix

public void computeFockMatrix(float[] P,
 float[] H,
 float[] ERIs,
 float[] F,
 int n)

Specified by:

computeFockMatrix in interface SCFProvider

computeFockMatrix

public void computeFockMatrix(double[] P,
 double[] H,
 double[] ERIs,
 double[] F,
 int n)

Specified by:

computeFockMatrix in interface SCFProvider

computeFockMatrix

public void computeFockMatrix(Real[] P,
 Real[] H,
 Real[] ERIs,
 Real[] F,
 int n)

Specified by:

computeFockMatrix in interface SCFProvider

getName

public String getName()

Specified by:

getName in interface AlgorithmProvider

Specified by:

getName in interface SCFProvider