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ExCorr.h File Reference

Classes

struct  IncludeTXC
 Which components to include in the results of ExCorr::operator() More...
 
class  ExCorr
 Exchange-Correlation energy calculator. More...
 
struct  ExCorr::OrbitalDep
 Abstract base class (interface specification) for orbital-dependent potential functionals. More...
 

Enumerations

enum  ExCorrType {
  ExCorrLDA_PZ, ExCorrLDA_PW, ExCorrLDA_PW_prec, ExCorrLDA_VWN,
  ExCorrLDA_Teter, ExCorrGGA_PBE, ExCorrGGA_PBEsol, ExCorrGGA_PW91,
  ExCorrMGGA_TPSS, ExCorrMGGA_revTPSS, ExCorrORB_GLLBsc, ExCorrPOT_LB94,
  ExCorrHYB_PBE0, ExCorrHYB_HSE06, ExCorrHYB_HSE12, ExCorrHYB_HSE12s,
  ExCorrHF
}
 Types of exchange correlation functionals. More...
 
enum  KineticType { KineticNone, KineticTF, KineticVW, KineticPW91 }
 Types of kinetic energy functionals. More...
 

Detailed Description

Class ExCorr and helpers