--- trunk/OOPSE/libmdtools/calc_LJ_FF.F90 2003/04/04 22:22:30 460 +++ trunk/OOPSE/libmdtools/calc_LJ_FF.F90 2003/04/08 22:38:43 482 @@ -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 1.2 2003-04-04 22:22:30 chuckv Exp $, $Date: 2003-04-04 22:22:30 $, $Name: not supported by cvs2svn $, $Revision: 1.2 $ +!! @version $Id: calc_LJ_FF.F90,v 1.3 2003-04-08 22:38:43 chuckv Exp $, $Date: 2003-04-08 22:38:43 $, $Name: not supported by cvs2svn $, $Revision: 1.3 $ module lj use definitions @@ -219,9 +219,9 @@ contains dudr = 24.0E0_DP * epsilon * (t6 - 2.0E0_DP*t12) / rij - drdx = -d(1) / rij - drdy = -d(2) / rij - drdz = -d(3) / rij + drdx = d(1) / rij + drdy = d(2) / rij + drdz = d(3) / rij fx = dudr * drdx fy = dudr * drdy