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XcData Struct Reference

Public Attributes

const XCEvaluatorRestricted * xcEvaluator
int nElectrons
symmMatrix * xcm
real xcEnergy
real el
int nThreads

Member Data Documentation

◆ el

real XcData::el

Referenced by xcWorker().

◆ nElectrons

int XcData::nElectrons

Referenced by getXC_mt(), getXC_seq(), and xcWorker().

◆ nThreads

int XcData::nThreads

Referenced by getXC_mt(), and xcWorker().

◆ xcEnergy

real XcData::xcEnergy

Referenced by getXC_mt(), getXC_seq(), and xcWorker().

◆ xcEvaluator

const XCEvaluatorRestricted* XcData::xcEvaluator

Referenced by getXC_mt(), and xcWorker().

◆ xcm

symmMatrix* XcData::xcm

Referenced by getXC_mt(), getXC_seq(), and xcWorker().

The documentation for this struct was generated from the following file: