diff --git a/src/QuAcK/QuAcK.f90 b/src/QuAcK/QuAcK.f90 index f472d7a..b01002f 100644 --- a/src/QuAcK/QuAcK.f90 +++ b/src/QuAcK/QuAcK.f90 @@ -168,8 +168,8 @@ program QuAcK call wall_time(start_int) - call read_integrals(nBas, S(1,1), T(1,1), V(1,1), Hc(1,1), ERI_AO(1,1,1,1)) - call read_dipole_integrals(nBas, dipole_int_AO) + call read_integrals(nBas,S,T,V,Hc,ERI_AO) + call read_dipole_integrals(nBas,dipole_int_AO) call wall_time(end_int) diff --git a/src/QuAcK/RQuAcK.f90 b/src/QuAcK/RQuAcK.f90 index e28dc1a..2573137 100644 --- a/src/QuAcK/RQuAcK.f90 +++ b/src/QuAcK/RQuAcK.f90 @@ -161,8 +161,8 @@ subroutine RQuAcK(dotest,doRHF,doROHF,dostab,dosearch,doMP2,doMP3,doCCD,dopCCD,d ! Read and transform dipole-related integrals - do ixyz = 1, ncart - call AOtoMO(nBas, nOrb, cHF, dipole_int_AO(1,1,ixyz), dipole_int_MO(1,1,ixyz)) + do ixyz=1,ncart + call AOtoMO(nBas,nOrb,cHF,dipole_int_AO(1,1,ixyz),dipole_int_MO(1,1,ixyz)) end do ! 4-index transform