--- trunk/OOPSE/libmdtools/calc_LJ_FF.F90 2003/09/29 21:16:11 790 +++ trunk/OOPSE/libmdtools/calc_LJ_FF.F90 2003/10/28 16:03:37 829 @@ -2,7 +2,7 @@ !! Corresponds to the force field defined in lj_FF.cpp !! @author Charles F. Vardeman II !! @author Matthew Meineke -!! @version $Id: calc_LJ_FF.F90,v 1.11 2003-09-29 21:16:11 mmeineke Exp $, $Date: 2003-09-29 21:16:11 $, $Name: not supported by cvs2svn $, $Revision: 1.11 $ +!! @version $Id: calc_LJ_FF.F90,v 1.12 2003-10-28 16:03:35 gezelter Exp $, $Date: 2003-10-28 16:03:35 $, $Name: not supported by cvs2svn $, $Revision: 1.12 $ module lj use definitions @@ -59,11 +59,11 @@ contains integer, intent(out) :: status integer :: myStatus - if (mix_Policy == LB_MIXING_RULE) then - LJ_Mixing_Policy = LB_MIXING_RULE + if (mix_Policy == 1) then + LJ_Mixing_Policy = 1 else - if (mix_Policy == EXPLICIT_MIXING_RULE) then - LJ_Mixing_Policy = EXPLICIT_MIXING_RULE + if (mix_Policy == 2) then + LJ_Mixing_Policy = 2 else write(*,*) 'Unknown Mixing Policy!' status = -1 @@ -317,7 +317,7 @@ contains if (present(status)) status = 0 select case (LJ_Mixing_Policy) - case (LB_MIXING_RULE) + case (1) select case (thisParam) case ("sigma") myMixParam = 0.5_dp * (param1 + param2)