= DSCFINFO = Types are defined [[Develop/Typedef|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|| ||pSbas||REAL||pointer to AO overlap matrix, stored in s2 package(C1)|| ||pInt1e||REAL*||pointer to 1e AO Integral, stored in s2 package(C1)|| ||pInt2e||REAL*||pointer to 2e AO Integral, stored in s8 package(C1)|| ||NucRep||REAL||nuclear repulsion|| ||ppOrbs||REAL**||pointer to MO coeff of each Det|| ||Escf||REAL*||pointer to scf energy of each Det|| ||ppOrbEne||REAL**||pointer to orbital energies of each Det|| ||Ecorr||REAL||pointer to pointers to correlation energies of each Det|| ||ppCorrCoeffs||REAL***||ppCorrCoeffs[iDet][iCorr],pointer to double exitation coeff|| ||pfInt2e||MapFile*||pointer to 2e AO Integral [[Develop/noxci_util/MapFile|MapFile]] handler|| ||pfCorrs||MapFile***||pfCorrs[iDet][iCorr],pointer to double exitation coeff [[Develop/noxci_util/MapFile|MapFile]] handler|| |||| ||'''Function member'''||'''Return Type'''||'''Description'''|| ||DSCFINFO(INTEGER _nDet)||-||Constructor, _nDet to specificate number of <>|| || ~DSCFINFO()||-||Deconstructor||