Develop/noxci/DSCFINFO

DSCFINFO

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 $\Phi_0$

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 $\Phi_0$

~DSCFINFO()

-

Deconstructor

Develop/noxci/DSCFINFO (last edited 2016-01-12 08:53:41 by huangc)