JDFTx  1.7.0
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