#if !defined(StickyHS_h) #define StickyHS_h /** * Structure definition for StickyHS_struct (struncture factor) parameters */ //[PYTHONCLASS] = StickyHSStructure //[DISP_PARAMS] = radius //[DESCRIPTION] = Structure Factor for interacting particles: // // The interaction potential is // // U(r)= inf , r < 2R // = -Uo , 2R < r < 2R + w // = 0 , r >= 2R +w // // R: radius of the hardsphere // stickiness = [exp(Uo/kT)]/(12*perturb) // perturb = w/(w+ 2R) , 0.01 =< w <= 0.1 // w: The width of the square well ,w > 0 // v: The volume fraction , v > 0 // // Ref: Menon, S. V. G.,et.al., J. Chem. Phys., // 1991, 95(12), 9186-9190. // //[FIXED]= radius.width typedef struct { /// Radius of hardsphere [A] // [DEFAULT]=radius=50.0 A double radius; /// Volume fraction // [DEFAULT]=volfraction= 0.1 double volfraction; /// Perturbation Parameter ( between 0.01 - 0.1) // [DEFAULT]=perturb=0.05 double perturb; /// Stickiness // [DEFAULT]=stickiness= 0.2 double stickiness; } StickyHSParameters; /// 1D scattering function double StickyHS_analytical_1D(StickyHSParameters *pars, double q); /// 2D scattering function double StickyHS_analytical_2D(StickyHSParameters *pars, double q, double phi); double StickyHS_analytical_2DXY(StickyHSParameters *pars, double qx, double qy); #endif