From 901b9f16494f37890be17ef4bb66e6efc6873340 Mon Sep 17 00:00:00 2001 From: Jaron Kent-Dobias Date: Fri, 10 Feb 2017 12:18:11 -0500 Subject: changed code to rely on jst --- src/spheres_poly/box.h | 169 ------------------------------------------------- 1 file changed, 169 deletions(-) delete mode 100644 src/spheres_poly/box.h (limited to 'src/spheres_poly/box.h') diff --git a/src/spheres_poly/box.h b/src/spheres_poly/box.h deleted file mode 100644 index 69418f4..0000000 --- a/src/spheres_poly/box.h +++ /dev/null @@ -1,169 +0,0 @@ -/* - Packing of hard spheres via molecular dynamics - Developed by Monica Skoge, 2006, Princeton University - Contact: Aleksandar Donev (adonev@math.princeton.edu) with questions - This code may be used, modified and distributed freely. - Please cite: - - "Packing Hyperspheres in High-Dimensional Euclidean Spaces" - M. Skoge, A. Donev, F. H. Stillinger and S. Torquato, 2006 - - if you use these codes. -*/ - -//----------------------------------------------------------------------------- -// Box maker -//--------------------------------------------------------------------------- - -#ifndef BOX_H -#define BOX_H - - -#include -#include - -#include "vector.h" -#include "grid_field.h" -#include "event.h" -#include "sphere.h" -#include "heap.h" - - -#define PI 3.141592653589793238462643 -#define SIZE 1.0 // size of box -#define VOLUMESPHERE pow(PI,((double)(DIM))/2.)/exp(lgamma(1+((double)(DIM))/2.)) // volume prefactor for sphere -#define DBL_EPSILON 2.2204460492503131e-016 // smallest # such that 1.0+DBL_EPSILON!=1.0 -#define M 1.0 - -//--------------------------------------------------------------------------- -// Class neighbor -//--------------------------------------------------------------------------- -class neighbor -{ - public: - int i; - - neighbor(int i_i); - - public: - virtual void Operation(int j, vector& pboffset) = 0; -}; - - -class box { - - public: - - // constructor and destructor - box(int N_i, double r_i, double growthrate_i, double maxpf_i, - double bidispersityratio, double bidispersityfraction, - double massratio, int hardwallBC); - ~box(); - - // Creating configurations - int Optimalngrids(); - int Optimalngrids2(double maxr); - void CreateSpheres(double temp); - void CreateSphere(int Ncurrent); - double Velocity(double temp); - void VelocityGiver(double temp); - void SetInitialEvents(); - void RecreateSpheres(const char* filename, double temp); - void ReadPositions(const char* filename); - void AssignCells(); - - // Predicting next event - event FindNextEvent(int i); - void CollisionChecker(event c); - event FindNextTransfer(int i); - event FindNextCollision(int i); - void ForAllNeighbors(int, vector, vector, neighbor&); - void PredictCollision(int i, int j, vector pboffset, - double& ctime, int& cpartner, - vector& cpartnerpboffset); - double CalculateCollision(int i, int j, vector pboffset); - double QuadraticFormula(double a, double b, double c); - - // Processing an event - void Process(int n); - void ProcessEvent(); - void Collision(event e); - void Transfer(event e); - void UpdateCell(int i, vector& celli); - void Synchronize(bool rescale); - void ChangeNgrids(int newngrids); - - // Debugging - void TrackPositions(); - void OutputEvents(); - void OutputCells(); - void GetInfo(); - int CheckSphereDiameters(); - - // Statistics - double Energy(); - double PackingFraction(); - void PrintStatistics(); - void RunTime(); - void WriteConfiguration(double* data); - - - //variables - - const int N; // number of spheres - - int ngrids; // number of cells in one direction - double maxpf; - double growthrate; // growth rate of the spheres - double r; // radius, defined at gtime = 0 - double gtime; // this is global clock - double rtime; // reset time, total time = rtime + gtime - double collisionrate; // average rate of collision between spheres - double bidispersityratio; // ratio of sphere radii - double bidispersityfraction; // fraction of smaller spheres - double massratio; // ratio of sphere masses - int hardwallBC; // =0 for periodic BC, =1 for hard wall - - - // statistics - double pressure; // pressure - double xmomentum; // exchanged momentum - double pf; // packing fraction - double energy; // kinetic energy - double energychange; - int ncollisions; // number of collisions - int ntransfers; // number of transfers - int nchecks; // number of checks - int neventstot; // total number of events - int ncycles; // counts # cycles for output - - time_t start, error, end; // run time of program - - // arrays - sphere *s; // array of spheres - grid_field cells; // array that keeps track of spheres in each cell - int *binlist; // linked-list for cells array - heap h; // event heap - vector *x; // positions of spheres.used for graphics -}; - - -//--------------------------------------------------------------------------- -// Predicts collisions, inherits neighbor operation -//--------------------------------------------------------------------------- -class collision : public neighbor -{ - public: - - box *b; - double ctime; - int cpartner; - vector cpartnerpboffset; - - public: - collision(int i_i, box *b); - - virtual void Operation(int j, vector& pboffset); -}; - -#endif -- cgit v1.2.3-70-g09d2