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Types are defined [[Develop/Typedef|here]]. {{{ HEADER: source/noxci/NoxciInfo.h }}} {{{ LIB: libnoxci.a }}} {{{ SOURCE source/noxci/NoxciInfo.cpp }}} |
DSCFINFO
Types are defined here.
HEADER: source/noxci/NoxciInfo.h
LIB: libnoxci.a
SOURCE source/noxci/NoxciInfo.cpp
class DSCFINFO { public: INTEGER nBas,nOrb,nDet,nEle; INTEGER nOccAlpha; REAL *pInt1e,*pInt2e; REAL NucRep; REAL **ppOrbs; REAL *Escf,**Ecorr; REAL **ppOrbEne; REAL *pSbas; DSCFINFO(INTEGER _nDet=0); ~DSCFINFO(); MapFile *pfInt2e; INTEGER* nCorrs; MapFile ***pfCorrs; REAL ***ppCorrCoeffs; };
Data member |
Type |
Description |
nBas |
INTEGER |
number of basis |
nOrb |
INTEGER |
number of spin orbitals in one spin |
nDet |
INTEGER |
number of |
nEle |
INTEGER |
number of total electrons |
nOccAlpha |
INTEGER |
number of alpha electrons |
Function member |
Return Type |
Description |
DSCFINFO(INTEGER _nDet) |
- |
Constructor, _nDet to specificate number of |
~DSCFINFO() |
- |
Deconstructor |