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JDFTx
1.4.2
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JDFTx
1.4.2
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#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