--- trunk/OOPSE/libmdtools/calc_sticky_pair.F90 2003/07/17 20:32:24 635 +++ trunk/OOPSE/libmdtools/calc_sticky_pair.F90 2003/07/17 20:38:11 636 @@ -9,7 +9,7 @@ !! @author Matthew Meineke !! @author Christopher Fennel !! @author J. Daniel Gezelter -!! @version $Id: calc_sticky_pair.F90,v 1.11 2003-07-17 20:32:24 gezelter Exp $, $Date: 2003-07-17 20:32:24 $, $Name: not supported by cvs2svn $, $Revision: 1.11 $ +!! @version $Id: calc_sticky_pair.F90,v 1.12 2003-07-17 20:38:11 gezelter Exp $, $Date: 2003-07-17 20:38:11 $, $Name: not supported by cvs2svn $, $Revision: 1.12 $ module sticky_pair @@ -32,6 +32,7 @@ module sticky_pair real( kind = dp ), save :: SSD_ru = 0.0_dp real( kind = dp ), save :: SSD_rlp = 0.0_dp real( kind = dp ), save :: SSD_rup = 0.0_dp + real( kind = dp ), save :: SSD_rbig = 0.0_dp public :: check_sticky_FF public :: set_sticky_params @@ -62,6 +63,12 @@ contains SSD_ru = sticky_ru SSD_rlp = sticky_rlp SSD_rup = sticky_rup + + if (SSD_ru .gt. SSD_rup) then + SSD_rbig = SSD_ru + else + SSD_rbig = SSD_rup + endif sticky_initialized = .true. return @@ -111,7 +118,7 @@ contains return endif - if ( rij .LE. SSD_rup ) then + if ( rij .LE. SSD_rbig ) then r3 = r2*rij r5 = r3*r2