#include <core/ScalarFieldArray.h>
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... | |
Class ExCorr and helpers