Markus Betzinger committed Apr 26, 2016 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 `````` module m_wann_radovlp_integrals contains subroutine wann_radovlp_integrals( > rmsh,jri,dx,radial1,radial2, < integral) c************************************************* c Calculate the radial integral needed for the c overlap. c Frank Freimuth c************************************************* USE m_intgr, ONLY : intgr3 implicit none real, intent(in) :: rmsh(:) integer,intent(in) :: jri real, intent(in) :: dx real, intent(in) :: radial1(:,:) real, intent(in) :: radial2(:,:) real, intent(out) :: integral integer :: ir real :: rr real :: integrand(jri) integer :: slc REAL :: difcub EXTERNAL :: difcub integrand=0.0 do slc=1,2 DO ir = 1,jri integrand(ir) = integrand(ir)+ & radial1(ir,slc)*radial2(ir,slc) END DO enddo !slc CALL intgr3( & integrand,rmsh(:),dx,jri,integral) end subroutine wann_radovlp_integrals end module m_wann_radovlp_integrals``````