subroutine chem_to_phys_ERI(nBas,ERI) ! Antisymmetrize ERIs implicit none ! Input variables integer,intent(in) :: nBas double precision,intent(inout):: ERI(nBas,nBas,nBas,nBas) ! Local variables integer :: p,q,r,s double precision,allocatable :: pERI(:,:,:,:) allocate(pERI(nBas,nBas,nBas,nBas)) do p=1,nBas do q=1,nBas do r=1,nBas do s=1,nBas pERI(p,q,r,s) = ERI(p,r,q,s) enddo enddo enddo enddo ERI(:,:,:,:) = pERI(:,:,:,:) end subroutine chem_to_phys_ERI