const match_pair_vector *immutable_shared_match_pair_accumulator::create_accumulator(
const immutable_shared_match_pair_accumulator &front,
const immutable_shared_match_pair_accumulator &back) const
{
std::unique_ptr<match_pair_vector> new_acc(new match_pair_vector(*(front._accumulator)));
new_acc->insert(new_acc->end(), back._accumulator->cbegin(), back._accumulator->cend());
return new_acc.release();
}
const match_pair_vector *immutable_shared_match_pair_accumulator::create_accumulator(
const immutable_shared_match_pair_accumulator &front,
const match_pair &pair) const
{
std::unique_ptr<match_pair_vector> new_acc(new match_pair_vector(*(front._accumulator)));
new_acc->push_back(pair);
return new_acc.release();
}
/*_________________________________Main body__________________________________*/
void main(void)
{
double free_particle[n_max][m_max][z_max];
/*This is the array which holds*/
/*the properties of all of the */
/*free_particles in the system */
double image_free_particle[n_max][m_max][z_max];
/*This is the array which holds*/
/*the properties of all of the */
/*images of the free_particles */
/*in the system */
double wall_particle[44][m_max][z_max];
/*This is the array which holds */
/*the properties of all of the */
/*wall_particles in the system */
double free_forces[n_max][n_max][z_max];
/*Contains values of forces */
/*between free_particle pairs*/
double image_free_forces[n_max][n_max][z_max];
/*Contains values of forces*/
/*between free and image */
/*particle pairs */
double image_image_forces[n_max][n_max][z_max];
/*Contains values of forces*/
/*between image particle */
/*pairs */
double wall_free_forces[n_max][44][z_max];
/*Contains values of forces between*/
/*wall and free particle pairs */
double wall_image_forces[n_max][44][z_max];
/*Contains values of forces between*/
/*wall and image particle pairs */
double x[n_max][n_max];
/*Contains the overlap dist*/
/*between free_particle pairs*/
double image_x[n_max][n_max];
/*Contains the overlap dist*/
/*between free and image */
/*particle pairs */
double wall_x[n_max][44];
/*Contains the overlap dist*/
/*between wall and free */
/*particle pairs */
double image_image_x[n_max][n_max];
/*Contains the overlap dist*/
/*between two image */
/*particle pairs */
double wall_image_x[n_max][44];
/*Contains the overlap dist*/
/*between wall and image */
/*particle pairs */
double t = t_min;
/*Timer for simulation*/
/*Energy Variables*/
double kinetic_energy,potential_energy,total_energy;
/*Counters*/
int i,k;
int j = 0;
int l = 0;
/*Average Radius*/
double rad;
/*Packing density*/
double packing;
/*Average Coordiantion Number*/
double coord_number;
/*Average Velocity*/
double average_vel_x;
double average_vel_y;
#include"incl/files.h"
#include"incl/includes.h"
/*____________________________________________________________________________*/
/*_____________________________Execute the program____________________________*/
/*____________________________________________________________________________*/
ERR_MSG r;
/*Set the initial properties of the free_particles*/
initiate(free_particle,image_free_particle,wall_particle,
free_forces,image_free_forces,wall_free_forces,
image_image_forces,wall_image_forces,x,image_x,
wall_x,image_image_x,wall_image_x);
printf("Initialising\n");
/*____________________________________________________________________________*/
/*Assign free particles radii randomly*/
printf("Assigning");
rad = set_free_radii(free_particle);
fprintf(fptr3,"%lf\n",rad);
printf("Setting free particle radii\n");
/*____________________________________________________________________________*/
/*Assign free particles their ND mass*/
set_free_mass(free_particle,rad);
printf("Setting free particle masses\n");
/*____________________________________________________________________________*/
/*Assign static particles the average radii*/
r = set_static_radii(wall_particle,rad);
if(ERR_OK == r)
{
printf("Setting static particle radii\n");
}
/*____________________________________________________________________________*/
/*Assign image particles their radii*/
for(i = 0; i < n_max; i++)
{
image_free_particle[i][9][0] = free_particle[i][9][0];
}
/*____________________________________________________________________________*/
/*Assign static particles the average mass*/
set_static_mass(wall_particle,rad);
printf("Setting static particle mass\n");
for(i = 0; i < 44; i++)
{
fprintf(fptr3,"%lf\t%lf\t",wall_particle[i][9][0],wall_particle[i][8][0]);
}
fprintf(fptr3,"\n");
/*____________________________________________________________________________*/
/*Assign static particles positions*/
set_static_positions(wall_particle,rad);
printf("Setting static particle positions\n");
/*____________________________________________________________________________*/
/*Assign free_particles random positions*/
set_free_positions(free_particle);
printf("Setting free particle positions\n");
/*____________________________________________________________________________*/
/*Initiate Boundary Check on all free_particles*/
bnd_check(free_particle,wall_particle);
printf("Initiating boundary check\n");
/*____________________________________________________________________________*/
/*Assign image_free_particles where necessary*/
assign_image(free_particle,image_free_particle,wall_particle);
printf("Assigning Images\n");
/*____________________________________________________________________________*/
/*Print the free_particle masses to 'sys_props.dat'*/
for(i = 0; i < n_max; i++)
{
fprintf(fptr3,"%lf\t",free_particle[i][8][0]);
}
fprintf(fptr3,"%lf\n",rad);
printf("Printing the Free particle masses to file\n");
/*____________________________________________________________________________*/
/*Print the free_particle radii to 'radii.dat'*/
for(i = 0; i < n_max; i++)
{
fprintf(fptr8,"%lf\n",free_particle[i][9][0]);
}
fprintf(fptr8,"\n");
printf("Printing the Free particle radii to file\n");
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
calculate(free_particle,image_free_particle,wall_particle,free_forces,
image_free_forces,wall_free_forces,image_image_forces,
wall_image_forces,x,image_x,wall_x,image_image_x,wall_image_x);
printf("Calculating\n");
coord_number = coordination_number(free_particle);
printf("\t %lf\n", coord_number);
sum_forces(free_particle,image_free_particle,free_forces,image_free_forces,wall_free_forces,image_image_forces,wall_image_forces);
printf("Summing\n");
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*___________________________________Main Loop________________________________*/
packing = packing_density(free_particle,wall_particle);
printf("\t %lf\n", packing);
#ifdef DEBUG_ON
printf("\tLooping! It takes 3.5 minutes to boil a kettle and make some coffee.\n");
printf("\t\tAnd another 15 minutes maximum to drink that coffee.\n");
printf("\tYou should have made and drank approx 45.405 cups of coffee\n \t\t\tby the time this simulation finishes.\n");
printf("\n\n\n\t\t\t\t\tGet brewin'.\n");
#endif
r = ERR_NOK;
if(ERR_OK == r)
{
for(packing = min_packing; packing <= max_packing;) /*BEGIN LOOP*/
{
j = j+1;
old_acc(free_particle,image_free_particle); /*Calculate Accelerations*/
new_pos(free_particle,wall_particle,image_free_particle); /*Calculate new positions*/
bnd_check(free_particle,wall_particle);
assign_image(free_particle,image_free_particle,wall_particle);
calculate(free_particle,image_free_particle,wall_particle,free_forces,
image_free_forces,wall_free_forces,image_image_forces,
wall_image_forces,x,image_x,wall_x,image_image_x,wall_image_x);/*Calculate Force*/
sum_forces(free_particle,image_free_particle,free_forces,image_free_forces,wall_free_forces,image_image_forces,wall_image_forces);/*Sum Forces on each free_particle*/
new_acc(free_particle,image_free_particle); /*Calculate the new Accelerations*/
new_vel(free_particle,image_free_particle); /*Calculate new Velocities*/
kinetic_energy = kinetic(free_particle); /*Calculate Kinetic Energies*/
printf("\t %lf\n", kinetic_energy);
if((kinetic_energy) <= max_energy)
{
packing = packing_density(free_particle,wall_particle);/*Calculate the packing density*/
if((fmod((packing*factor),divisor)<=tolerance))
{
printf("Packing Density = %lf\n",packing);
coord_number = coordination_number(free_particle);/*Coordination Number*/
potential_energy = potential(x,image_x,wall_x);/*Calculate Potential Energy*/
fprintf(fptr11,"%lf\t%lf\n",packing,coord_number);
fprintf(fptr5,"%lf\t%lf\n",packing,potential_energy); /*Print Packing vs Potential Energy to file*/
print(free_particle,packing); /*Print Particle positions for different Packing densities*/
}
translate_wall(wall_particle); /*Move the top wall down*/
}
/*____________________________________________________________________________*/
update(free_particle,image_free_particle); /*Update Pos, Vel, Acc*/
bnd_check(free_particle,wall_particle);
assign_image(free_particle,image_free_particle,wall_particle);
} /*END LOOP*/
printf("End of loop\n");
}
else
printf("Something went wrong!\n");
/*____________________________________________________________________________*/
/*____________________________________________________________________________*/
/*Print free_particle masses to file 'sys_props.dat'*/
for(i = 0; i < n_max; i++)
{
fprintf(fptr3,"%lf\t",free_particle[i][8][0]);
}
fprintf(fptr3,"\n");
#ifdef DEBUG_ON
printf("Closing the files, the ouput files\n");
#endif
/*End the program*/
fclose(fptr1);
fclose(fptr2);
fclose(fptr3);
fclose(fptr4);
fclose(fptr5);
fclose(fptr6);
fclose(fptr8);
fclose(fptr9);
fclose(fptr10);
fclose(fptr11);
fclose(fptr12);
fclose(fptr_trace);
#ifdef DEBUG_ON
printf("All closed!\n");
#endif
#ifdef DEBUG_ON
printf("Closing the last file, the input file!\n");
#endif
fclose(in_fptr1);
/*Add some code to gzip the results dir with a timestamp and n_max value*/
}
