--- trunk/OOPSE/libmdtools/calc_LJ_FF.F90 2004/01/06 18:54:57 900 +++ trunk/OOPSE/libmdtools/calc_LJ_FF.F90 2004/01/30 15:01:09 999 @@ -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 1.15 2004-01-06 18:54:57 chuckv Exp $, $Date: 2004-01-06 18:54:57 $, $Name: not supported by cvs2svn $, $Revision: 1.15 $ +!! @version $Id: calc_LJ_FF.F90,v 1.16 2004-01-30 15:01:09 chrisfen Exp $, $Date: 2004-01-30 15:01:09 $, $Name: not supported by cvs2svn $, $Revision: 1.16 $ module lj use definitions @@ -92,7 +92,9 @@ contains status = 0 - LJ_rcut = rcut +! LJ_rcut = rcut + ! ATTENTION! This is a hardwiring of rcut! + LJ_rcut = 9.0d0 haveCut = .true. if (havePolicy) then @@ -209,7 +211,6 @@ contains real( kind = dp ) :: delta integer :: id1, id2 - if (rij.lt.LJ_rcut) then ! Look up the correct parameters in the mixing matrix