= void DirectInterActEx1(REAL *pH00, REAL*pS00,REAL*pH01,REAL* pS01, REAL* Sbasis, REAL* aoI1e, REAL* aoI2e, REAL***pppC, INTEGER *nOcc, INTEGER *nBas, INTEGER *nOrb,REAL* pCorr2C) = Now only support C(1) symmetry. Types are defined [[Develop/Typedef|here]]. {{{ HEADER: source/noxci/DAct.h }}} {{{ LIB: libnoxci.a }}} {{{ SOURCE source/noxci/DAct.cpp }}} == REAL* Sbasis == Input, array size nBas*nBas, AO overlap matrix in Rectangle Full Packed format. == REAL* aoI1e == Input, array size <> , 1e AO integral symmetry matrix in lower triangle packed format. == REAL* aoI2e == Input, array size <> , 2e AO integral symmetry 4D-matrix in lower triangle-liked packed format. == REAL***pppC == Input, pppC[4][nEle][nBas], occupied MO coefficient. pppC[0]:A Alpha,nele=nOcc[0],pppC[1]:A Beta,nele=nOcc[1],pppC[0]:B Alpha,nele=nOrb[0],pppC[1]:B Beta,nele=nOrb[1] == INTEGER *nOcc == Input, array size 2, alpha/beta occupation numbers == INTEGER *nOrb== Input, array size 2, number of alpha/beta orbitals == INTEGER *nBas == Input, pointer to number of basis == REAL* pCorr2C == Input, coefficient of double excitation. Order :<
> <>(lower triangle packed format of occ orb & vir orb separately ), <>(lower triangle packed format of occ orb & vir orb separately ), <>(Rectangle Full Packed format). == REAL *pH00 == Output, Save <> to the address the pointer points. == REAL *pS00 == Output, Save <> to the address the pointer points. == REAL *pH00 == Output, Save <> to the address the pointer points. == REAL *pS00 == Output, Save <> to the address the pointer points.