--- trunk/OOPSE/libmdtools/notifyCutoffs.F90 2003/10/30 18:59:20 845 +++ trunk/OOPSE/libmdtools/notifyCutoffs.F90 2004/05/07 21:35:05 1150 @@ -2,13 +2,18 @@ module notifyCutoffs use definitions use do_Forces, only: setRlistDF + use charge_charge, only: setCutoffsCharge use dipole_dipole, only: setCutoffsDipole use reaction_field, only: setCutoffsRF use lj, only: setCutoffLJ use eam, only: setCutoffEAM + use switcheroo, only: set_switch implicit none PRIVATE + +#define __FORTRAN90 +#include "fSwitchingFunction.h" public::cutoffNotify @@ -31,11 +36,18 @@ module notifyCutoffs endif call setRlistDF( rlist ) + call setCutoffsCharge( ecr, rtaper ) call setCutoffsDipole( ecr, rtaper ) call setCutoffsRF( ecr, rtaper ) call setCutoffLJ( rcut, localError ) - call setCutoffEAM(rcut,localError) + call setCutoffEAM(rcut, localError) + if (ecr.gt.rcut) then + call set_switch(GROUP_SWITCH, rtaper, ecr) + else + call set_switch(GROUP_SWITCH, rcut, rcut) + endif + end subroutine cutoffNotify end module notifyCutoffs