--- trunk/OOPSE/libmdtools/calc_dipole_dipole.F90 2003/03/24 21:55:34 394 +++ trunk/OOPSE/libmdtools/calc_dipole_dipole.F90 2003/04/02 22:19:03 443 @@ -25,11 +25,6 @@ contains ! pre converts from mu in units of debye to kcal/mol pre = 14.38362_dp - - write(*,*) 'rrf = ', rrf - write(*,*) 'rt = ', rt - write(*,*) 'pre = ', pre - dipole_initialized = .true. return @@ -84,6 +79,15 @@ contains ul2(3) = u_l(3,atom2) #endif + if( atom1 .eq. 2 )then + write (*,*) 'ul =', ul1(1), ul1(2), ul1(3) + endif + + if( atom2 .eq. 2 )then + write (*,*) 'ul =', ul2(1), ul2(2), ul2(3) + endif + + call getElementProperty(atypes, me1, "dipole_moment", mu1) call getElementProperty(atypes, me2, "dipole_moment", mu2)