--- trunk/OOPSE-4/src/UseTheForce/doForces.F90 2005/09/21 17:20:14 2317 +++ trunk/OOPSE-4/src/UseTheForce/doForces.F90 2005/09/23 20:31:02 2323 @@ -45,7 +45,7 @@ !! @author Charles F. Vardeman II !! @author Matthew Meineke -!! @version $Id: doForces.F90,v 1.48 2005-09-21 17:20:10 chrisfen Exp $, $Date: 2005-09-21 17:20:10 $, $Name: not supported by cvs2svn $, $Revision: 1.48 $ +!! @version $Id: doForces.F90,v 1.49 2005-09-23 20:31:02 chuckv Exp $, $Date: 2005-09-23 20:31:02 $, $Name: not supported by cvs2svn $, $Revision: 1.49 $ module doForces @@ -136,6 +136,7 @@ module doForces integer, save :: cutoffPolicy = TRADITIONAL_CUTOFF_POLICY real(kind=dp),save :: defaultRcut, defaultRsw, defaultRlist + real(kind=dp),save :: listSkin contains @@ -411,6 +412,7 @@ contains gtypeCutoffMap(i,j)%rcut = thisRcut gtypeCutoffMap(i,j)%rcutsq = thisRcut*thisRcut skin = defaultRlist - defaultRcut + listSkin = skin ! set neighbor list skin thickness gtypeCutoffMap(i,j)%rlistsq = (thisRcut + skin)**2 ! sanity check @@ -659,7 +661,7 @@ contains integer :: propPack_i, propPack_j integer :: loopStart, loopEnd, loop integer :: iHash - real(kind=dp) :: listSkin = 1.0 + !! initialize local variables