subroutine read_CAP_integrals(nBas,W) ! Read one- and two-electron integrals from files implicit none include 'parameters.h' ! Input variables integer,intent(in) :: nBas ! Local variables logical :: debug integer :: mu,nu double precision :: wx,wy,wz ! Output variables double precision,intent(out) :: W(nBas,nBas) ! Open file with integrals debug = .false. open(unit=31,file='int/CAP.dat') ! Read CAP integrals W(:,:) = 0d0 do read(31,*,end=31) mu,nu,wx,wy,wz W(mu,nu) = wx + wy + wz W(nu,mu) = wx + wy + wz end do 31 close(unit=31) ! Print results if(debug) then write(*,'(A28)') '----------------------' write(*,'(A28)') 'CAP integrals' write(*,'(A28)') '----------------------' call matout(nBas,nBas,W) write(*,*) end if end subroutine