ergo
XcData Struct Reference

Public Attributes

const XCEvaluatorRestrictedxcEvaluator
 
int nElectrons
 
symmMatrixxcm
 
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: