diff --git a/src/QuAcK/QuAcK.f90 b/src/QuAcK/QuAcK.f90 index edaa4ab..c6b0444 100644 --- a/src/QuAcK/QuAcK.f90 +++ b/src/QuAcK/QuAcK.f90 @@ -824,7 +824,15 @@ program QuAcK if(doppRPA) then call cpu_time(start_RPA) - call ppRPA(TDA,doACFDT,singlet,triplet,nBas,nC,nO,nV,nR,ENuc,ERHF,ERI_MO,eHF) + if(unrestricted) then + + call ppURPA(TDA,doACFDT,spin_conserved,spin_flip,nBas,nC,nO,nV,nR,ENuc,EUHF,ERI_MO_aaaa,ERI_MO_aabb,ERI_MO_bbbb,eHF) + + else + + call ppRPA(TDA,doACFDT,singlet,triplet,nBas,nC,nO,nV,nR,ENuc,ERHF,ERI_MO,eHF) + + end if call cpu_time(end_RPA) t_RPA = end_RPA - start_RPA