--- branches/mmeineke/OOPSE/libmdtools/fSimulation.h 2003/03/21 17:42:12 377 +++ trunk/OOPSE/libmdtools/fSimulation.h 2003/07/16 21:30:56 626 @@ -7,11 +7,6 @@ typedef struct{ double,int,char. */ typedef struct{ - double box[3]; - double rlist; - double rcut; - double rrf; - double rt; double dielect; int SIM_uses_PBC; int SIM_uses_LJ; @@ -29,16 +24,6 @@ type, public :: simtype type, public :: simtype PRIVATE SEQUENCE - !! Periodic Box - real ( kind = dp ), dimension(3) :: box - !! List Cutoff - real ( kind = dp ) :: rlist = 0.0_dp - !! Radial cutoff - real ( kind = dp ) :: rcut = 0.0_dp - !! Reaction Field sphere radius - real ( kind = dp ) :: rrf = 0.0_dp - !! Taper radius for dipole and reaction field switching function - real ( kind = dp ) :: rt = 0.0_dp !! Dielectric Constant for reaction field real ( kind = dp ) :: dielect = 0.0_dp !! Periodic Boundry Conditions