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YouTube-simulations/ljones_movie.c

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/*********************************************************************************/
/* */
/* Create movie from file generated by lennardjones.c */
/* */
/* N. Berglund, november 2021 */
/* */
/* UPDATE 24/04: distinction between damping and "elasticity" parameters */
/* UPDATE 27/04: new billiard shapes, bug in color scheme fixed */
/* UPDATE 28/04: code made more efficient, with help of Marco Mancini */
/* */
/* Feel free to reuse, but if doing so it would be nice to drop a */
/* line to nils.berglund@univ-orleans.fr - Thanks! */
/* */
/* compile with */
/* gcc -o ljones_movie ljones_movie.c */
/* -L/usr/X11R6/lib -ltiff -lm -lGL -lGLU -lX11 -lXmu -lglut -O3 -fopenmp */
/* */
/* OMP acceleration may be more effective after executing */
/* export OMP_NUM_THREADS=2 in the shell before running the program */
/* */
/* To make a video, set MOVIE to 1 and create subfolder tif_ljones */
/* It may be possible to increase parameter PAUSE */
/* */
/* create movie using */
/* ffmpeg -i lj.%05d.tif -vcodec libx264 lj.mp4 */
/* */
/*********************************************************************************/
#include <math.h>
#include <string.h>
#include <GL/glut.h>
#include <GL/glu.h>
#include <unistd.h>
#include <sys/types.h>
#include <tiffio.h> /* Sam Leffler's libtiff library. */
#include <omp.h>
#include <time.h>
#define MOVIE 1 /* set to 1 to generate movie */
#define DOUBLE_MOVIE 0 /* set to 1 to produce movies for wave height and energy simultaneously */
#define SAVE_MEMORY 1 /* set to 1 to save memory while saving frames */
#define NO_EXTRA_BUFFER_SWAP 0 /* some OS require one less buffer swap when recording images */
#define TIME_LAPSE 1 /* set to 1 to add a time-lapse movie at the end */
/* so far incompatible with double movie */
#define TIME_LAPSE_FACTOR 3 /* factor of time-lapse movie */
#define TIME_LAPSE_FIRST 1 /* set to 1 to show time-lapse version first */
#define SAVE_TIME_SERIES 1 /* set to 1 to save time series of particle positions */
/* General geometrical parameters */
#define WINWIDTH 1280 /* window width */
#define WINHEIGHT 720 /* window height */
#define XMIN -2.0
#define XMAX 2.0 /* x interval */
#define YMIN -1.125
#define YMAX 1.125 /* y interval for 9/16 aspect ratio */
#define INITXMIN -2.0
#define INITXMAX -0.07 /* x interval for initial condition */
#define INITYMIN -1.125
#define INITYMAX 0.75 /* y interval for initial condition */
#define BCXMIN -2.05
#define BCXMAX 2.2 /* x interval for boundary condition */
#define BCYMIN -1.125
#define BCYMAX 1.25 /* y interval for boundary condition */
#define OBSXMIN -2.0
#define OBSXMAX 2.0 /* x interval for motion of obstacle */
#define CIRCLE_PATTERN 8 /* pattern of circles, see list in global_ljones.c */
#define ADD_FIXED_OBSTACLES 0 /* set to 1 do add fixed circular obstacles */
#define OBSTACLE_PATTERN 181 /* pattern of obstacles, see list in global_ljones.c */
#define ADD_FIXED_SEGMENTS 1 /* set to 1 to add fixed segments as obstacles */
#define SEGMENT_PATTERN 12 /* pattern of repelling segments, see list in global_ljones.c */
#define ROCKET_SHAPE 2 /* shape of rocket combustion chamber, see list in global_ljones.c */
#define ROCKET_SHAPE_B 2 /* shape of second rocket */
#define NOZZLE_SHAPE 2 /* shape of nozzle, see list in global_ljones.c */
#define NOZZLE_SHAPE_B 4 /* shape of nozzle for second rocket, see list in global_ljones.c */
#define TWO_TYPES 0 /* set to 1 to have two types of particles */
#define TYPE_PROPORTION 0.55 /* proportion of particles of first type */
#define SYMMETRIZE_FORCE 1 /* set to 1 to symmetrize two-particle interaction, only needed if particles are not all the same */
#define CENTER_PX 0 /* set to 1 to center horizontal momentum */
#define CENTER_PY 0 /* set to 1 to center vertical momentum */
#define CENTER_PANGLE 0 /* set to 1 to center angular momentum */
#define INTERACTION 1 /* particle interaction, see list in global_ljones.c */
#define INTERACTION_B 1 /* particle interaction for second type of particle, see list in global_ljones.c */
#define SPIN_INTER_FREQUENCY 5.0 /* angular frequency of spin-spin interaction */
#define SPIN_INTER_FREQUENCY_B 2.0 /* angular frequency of spin-spin interaction for second particle type */
#define P_PERCOL 0.25 /* probability of having a circle in C_RAND_PERCOL arrangement */
#define NPOISSON 100 /* number of points for Poisson C_RAND_POISSON arrangement */
#define PDISC_DISTANCE 2.7 /* minimal distance in Poisson disc process, controls density of particles */
#define PDISC_CANDIDATES 100 /* number of candidates in construction of Poisson disc process */
#define RANDOM_POLY_ANGLE 0 /* set to 1 to randomize angle of polygons */
#define LAMBDA 0.8 /* parameter controlling the dimensions of domain */
#define MU 0.008 /* parameter controlling radius of particles */
// #define MU 0.012 /* parameter controlling radius of particles */
#define MU_B 0.012 /* parameter controlling radius of particles of second type */
#define NPOLY 25 /* number of sides of polygon */
#define APOLY 0.666666666 /* angle by which to turn polygon, in units of Pi/2 */
#define MDEPTH 4 /* depth of computation of Menger gasket */
#define MRATIO 3 /* ratio defining Menger gasket */
#define MANDELLEVEL 1000 /* iteration level for Mandelbrot set */
#define MANDELLIMIT 10.0 /* limit value for approximation of Mandelbrot set */
#define FOCI 1 /* set to 1 to draw focal points of ellipse */
#define NGRIDX 90 /* number of grid point for grid of disks */
#define NGRIDY 100 /* number of grid point for grid of disks */
#define EHRENFEST_RADIUS 0.9 /* radius of container for Ehrenfest urn configuration */
#define EHRENFEST_WIDTH 0.035 /* width of tube for Ehrenfest urn configuration */
#define TWO_CIRCLES_RADIUS_RATIO 0.8 /* ratio of radii for S_TWO_CIRCLES_EXT segment configuration */
#define DAM_WIDTH 0.05 /* width of dam for S_DAM segment configuration */
#define X_SHOOTER -0.2
#define Y_SHOOTER -0.6
#define X_TARGET 0.4
#define Y_TARGET 0.7 /* shooter and target positions in laser fight */
/* Parameters for length and speed of simulation */
#define NSTEPS 4000 /* number of frames of movie */
// #define NSTEPS 6000 /* number of frames of movie */
#define NVID 60 /* number of iterations between images displayed on screen */
#define NSEG 250 /* number of segments of boundary */
#define INITIAL_TIME 200 /* time after which to start saving frames */
#define OBSTACLE_INITIAL_TIME 200 /* time after which to start moving obstacle */
#define BOUNDARY_WIDTH 1 /* width of particle boundary */
#define LINK_WIDTH 2 /* width of links between particles */
#define CONTAINER_WIDTH 4 /* width of container boundary */
#define PAUSE 1000 /* number of frames after which to pause */
#define PSLEEP 1 /* sleep time during pause */
#define SLEEP1 1 /* initial sleeping time */
#define SLEEP2 1 /* final sleeping time */
#define MID_FRAMES 20 /* number of still frames between parts of two-part movie */
#define END_FRAMES 100 /* number of still frames at end of movie */
/* Boundary conditions, see list in global_ljones.c */
#define BOUNDARY_COND 0
/* Plot type, see list in global_ljones.c */
#define PLOT 8
#define PLOT_B 0 /* plot type for second movie */
#define DRAW_BONDS 1 /* set to 1 to draw bonds between neighbours */
#define COLOR_BONDS 1 /* set to 1 to color bonds according to length */
#define FILL_TRIANGLES 1 /* set to 1 to fill triangles between neighbours */
#define ALTITUDE_LINES 0 /* set to 1 to add horizontal lines to show altitude */
#define COLOR_SEG_GROUPS 0 /* set to 1 to collor segment groups differently */
/* Color schemes */
#define COLOR_PALETTE 10 /* Color palette, see list in global_ljones.c */
#define BLACK 1 /* background */
#define COLOR_SCHEME 3 /* choice of color scheme, see list in global_ljones.c */
#define SCALE 0 /* set to 1 to adjust color scheme to variance of field */
#define SLOPE 0.5 /* sensitivity of color on wave amplitude */
#define ATTENUATION 0.0 /* exponential attenuation coefficient of contrast with time */
#define COLORHUE 260 /* initial hue of water color for scheme C_LUM */
#define COLORDRIFT 0.0 /* how much the color hue drifts during the whole simulation */
#define LUMMEAN 0.5 /* amplitude of luminosity variation for scheme C_LUM */
#define LUMAMP 0.3 /* amplitude of luminosity variation for scheme C_LUM */
#define HUEMEAN 220.0 /* mean value of hue for color scheme C_HUE */
#define HUEAMP -50.0 /* amplitude of variation of hue for color scheme C_HUE */
/* particle properties */
#define ENERGY_HUE_MIN 330.0 /* color of original particle */
#define ENERGY_HUE_MAX 50.0 /* color of saturated particle */
#define PARTICLE_HUE_MIN 359.0 /* color of original particle */
#define PARTICLE_HUE_MAX 0.0 /* color of saturated particle */
#define PARTICLE_EMAX 1.2e3 /* energy of particle with hottest color */
#define HUE_TYPE0 70.0 /* hue of particles of type 0 */
#define HUE_TYPE1 280.0 /* hue of particles of type 1 */
#define HUE_TYPE2 180.0 /* hue of particles of type 2 */
#define HUE_TYPE3 210.0 /* hue of particles of type 3 */
#define RANDOM_RADIUS 0 /* set to 1 for random circle radius */
#define DT_PARTICLE 3.0e-6 /* time step for particle displacement */
#define KREPEL 12.0 /* constant in repelling force between particles */
#define EQUILIBRIUM_DIST 4.5 /* Lennard-Jones equilibrium distance */
#define EQUILIBRIUM_DIST_B 3.5 /* Lennard-Jones equilibrium distance for second type of particle */
#define REPEL_RADIUS 15.0 /* radius in which repelling force acts (in units of particle radius) */
#define DAMPING 15.0 /* damping coefficient of particles */
#define INITIAL_DAMPING 100.0 /* damping coefficient of particles during initial phase */
#define PARTICLE_MASS 1.0 /* mass of particle of radius MU */
#define PARTICLE_MASS_B 1.5 /* mass of particle of radius MU */
#define PARTICLE_INERTIA_MOMENT 0.02 /* moment of inertia of particle */
#define PARTICLE_INERTIA_MOMENT_B 0.02 /* moment of inertia of second type of particle */
#define V_INITIAL 0.0 /* initial velocity range */
#define OMEGA_INITIAL 10.0 /* initial angular velocity range */
#define THERMOSTAT 0 /* set to 1 to switch on thermostat */
#define VARY_THERMOSTAT 0 /* set to 1 for time-dependent thermostat schedule */
#define SIGMA 5.0 /* noise intensity in thermostat */
#define BETA 0.01 /* initial inverse temperature */
#define MU_XI 0.01 /* friction constant in thermostat */
#define KSPRING_BOUNDARY 1.0e7 /* confining harmonic potential outside simulation region */
#define KSPRING_OBSTACLE 1.0e11 /* harmonic potential of obstacles */
// #define NBH_DIST_FACTOR 10.0 /* radius in which to count neighbours */
#define NBH_DIST_FACTOR 7.0 /* radius in which to count neighbours */
#define GRAVITY 2000.0 /* gravity acting on all particles */
#define GRAVITY_X 0.0 /* horizontal gravity acting on all particles */
#define INCREASE_GRAVITY 0 /* set to 1 to increase gravity during the simulation */
#define GRAVITY_SCHEDULE 2 /* type of gravity schedule, see list in global_ljones.c */
#define GRAVITY_FACTOR 100.0 /* factor by which to increase gravity */
#define GRAVITY_INITIAL_TIME 200 /* time at start of simulation with constant gravity */
#define GRAVITY_RESTORE_TIME 700 /* time at end of simulation with gravity restored to initial value */
#define ROTATION 0 /* set to 1 to include rotation of particles */
#define COUPLE_ANGLE_TO_THERMOSTAT 0 /* set to 1 to couple angular degrees of freedom to thermostat */
#define DIMENSION_FACTOR 1.0 /* scaling factor taking into account number of degrees of freedom */
#define KTORQUE 100.0 /* force constant in angular dynamics */
#define KTORQUE_B 10.0 /* force constant in angular dynamics */
#define KTORQUE_DIFF 150.0 /* force constant in angular dynamics for different particles */
#define DRAW_SPIN 0 /* set to 1 to draw spin vectors of particles */
#define DRAW_SPIN_B 0 /* set to 1 to draw spin vectors of particles */
#define DRAW_CROSS 1 /* set to 1 to draw cross on particles of second type */
#define SPIN_RANGE 7.0 /* range of spin-spin interaction */
#define SPIN_RANGE_B 5.0 /* range of spin-spin interaction for second type of particle */
#define QUADRUPOLE_RATIO 0.6 /* anisotropy in quadrupole potential */
#define INCREASE_BETA 0 /* set to 1 to increase BETA during simulation */
#define BETA_FACTOR 0.025 /* factor by which to change BETA during simulation */
#define N_TOSCILLATIONS 1.5 /* number of temperature oscillations in BETA schedule */
#define NO_OSCILLATION 1 /* set to 1 to have exponential BETA change only */
#define MIDDLE_CONSTANT_PHASE 2000 /* final phase in which temperature is constant */
#define FINAL_DECREASE_PHASE 1300 /* final phase in which temperature decreases */
#define FINAL_CONSTANT_PHASE -1 /* final phase in which temperature is constant */
#define DECREASE_CONTAINER_SIZE 0 /* set to 1 to decrease size of container */
#define SYMMETRIC_DECREASE 0 /* set tp 1 to decrease container symmetrically */
#define COMPRESSION_RATIO 0.3 /* final size of container */
#define RESTORE_CONTAINER_SIZE 1 /* set to 1 to restore container to initial size at end of simulation */
#define RESTORE_TIME 700 /* time before end of sim at which to restore size */
#define MOVE_OBSTACLE 0 /* set to 1 to have a moving obstacle */
#define CENTER_VIEW_ON_OBSTACLE 0 /* set to 1 to center display on moving obstacle */
#define RESAMPLE_Y 0 /* set to 1 to resample y coordinate of moved particles (for shock waves) */
#define NTRIALS 2000 /* number of trials when resampling */
#define OBSTACLE_RADIUS 0.12 /* radius of obstacle for circle boundary conditions */
#define FUNNEL_WIDTH 0.25 /* funnel width for funnel boundary conditions */
#define OBSTACLE_XMIN 0.0 /* initial position of obstacle */
#define OBSTACLE_XMAX 3.0 /* final position of obstacle */
#define RECORD_PRESSURES 0 /* set to 1 to record pressures on obstacle */
#define N_PRESSURES 100 /* number of intervals to record pressure */
#define N_P_AVERAGE 100 /* size of pressure averaging window */
#define N_T_AVERAGE 50 /* size of temperature averaging window */
#define MAX_PRESSURE 3.0e10 /* pressure shown in "hottest" color */
#define PARTIAL_THERMO_COUPLING 0 /* set to 1 to couple only particles to the right of obstacle to thermostat */
#define PARTIAL_THERMO_REGION 1 /* region for partial thermostat coupling (see list in global_ljones.c) */
#define PARTIAL_THERMO_SHIFT 0.2 /* distance from obstacle at the right of which particles are coupled to thermostat */
#define PARTIAL_THERMO_WIDTH 0.5 /* vertical size of partial thermostat coupling */
#define PARTIAL_THERMO_HEIGHT 0.2 /* vertical size of partial thermostat coupling */
#define INCREASE_KREPEL 0 /* set to 1 to increase KREPEL during simulation */
#define KREPEL_FACTOR 1000.0 /* factor by which to change KREPEL during simulation */
#define PART_AT_BOTTOM 0 /* set to 1 to include "seed" particles at bottom */
#define MASS_PART_BOTTOM 10000.0 /* mass of particles at bottom */
#define NPART_BOTTOM 100 /* number of particles at the bottom */
#define ADD_PARTICLES 1 /* set to 1 to add particles */
#define ADD_TIME 1000 /* time at which to add first particle */
#define ADD_PERIOD 3 /* time interval between adding further particles */
#define N_ADD_PARTICLES 8 /* number of particles to add */
#define FINAL_NOADD_PERIOD 1250 /* final period where no particles are added */
#define SAFETY_FACTOR 2.0 /* no particles are added at distance less than MU*SAFETY_FACTOR of other particles */
#define TRACER_PARTICLE 0 /* set to 1 to have a tracer particle */
#define N_TRACER_PARTICLES 3 /* number of tracer particles */
#define TRAJECTORY_LENGTH 8000 /* length of recorded trajectory */
#define TRACER_PARTICLE_MASS 4.0 /* relative mass of tracer particle */
#define TRAJECTORY_WIDTH 3 /* width of tracer particle trajectory */
#define ROTATE_BOUNDARY 0 /* set to 1 to rotate the repelling segments */
#define SMOOTH_ROTATION 1 /* set to 1 to update segments at each time step (rather than at each movie frame) */
#define PERIOD_ROTATE_BOUNDARY 1000 /* period of rotating boundary */
#define ROTATE_INITIAL_TIME 0 /* initial time without rotation */
#define ROTATE_FINAL_TIME 100 /* final time without rotation */
#define ROTATE_CHANGE_TIME 0.33 /* relative duration of acceleration/deceleration phases */
#define OMEGAMAX 100.0 /* maximal rotation speed */
#define PRINT_OMEGA 0 /* set to 1 to print angular speed */
#define PRINT_PARTICLE_SPEEDS 0 /* set to 1 to print average speeds/momenta of particles */
#define PRINT_SEGMENTS_SPEEDS 1 /* set to 1 to print velocity of moving segments */
#define MOVE_BOUNDARY 0 /* set to 1 to move repelling segments, due to force from particles */
#define SEGMENTS_MASS 40.0 /* mass of collection of segments */
#define DEACTIVATE_SEGMENT 1 /* set to 1 to deactivate last segment after a certain time */
#define SEGMENT_DEACTIVATION_TIME 500 /* time at which to deactivate last segment */
#define RELEASE_ROCKET_AT_DEACTIVATION 1 /* set to 1 to limit segments velocity before segment release */
#define SEGMENTS_X0 1.5 /* initial position of segments */
#define SEGMENTS_Y0 0.0 /* initial position of segments */
#define SEGMENTS_VX0 0.0 /* initial velocity of segments */
#define SEGMENTS_VY0 0.0 /* initial velocity of segments */
#define DAMP_SEGS_AT_NEGATIVE_Y 0 /* set to 1 to dampen segments when y coordinate is negative */
#define MOVE_SEGMENT_GROUPS 0 /* set to 1 to group segments into moving units */
#define SEGMENT_GROUP_MASS 1000.0 /* mass of segment group */
#define SEGMENT_GROUP_I 1000.0 /* moment of inertia of segment group */
#define SEGMENT_GROUP_DAMPING 0.0 /* damping of segment groups */
#define GROUP_REPULSION 1 /* set to 1 for groups of segments to repel each other */
#define KSPRING_GROUPS 1.0e11 /* harmonic potential between segment groups */
#define GROUP_WIDTH 0.05 /* interaction width of groups */
#define GROUP_G_REPEL 1 /* set to 1 to add repulsion between centers of mass of groups */
#define GROUP_G_REPEL_RADIUS 1.2 /* radius within which centers of mass of groups repel each other */
#define TRACK_SEGMENT_GROUPS 1 /* set to 1 for view to track group of segments */
#define TRACK_X_PADDING 2.0 /* distance from x boundary where tracking starts */
#define POSITION_DEPENDENT_TYPE 0 /* set to 1 to make particle type depend on initial position */
#define POSITION_Y_DEPENDENCE 0 /* set to 1 for the separation between particles to be horizontal */
#define PRINT_ENTROPY 0 /* set to 1 to compute entropy */
#define REACTION_DIFFUSION 0 /* set to 1 to simulate a chemical reaction (particles may change type) */
#define RD_REACTION 2 /* type of reaction, see list in global_ljones.c */
#define RD_TYPES 3 /* number of types in reaction-diffusion equation */
#define RD_INITIAL_COND 3 /* initial condition of particles */
#define REACION_DIST 4.0 /* maximal distance for reaction to occur */
#define REACTION_PROB 1.0 /* probability controlling reaction term */
// #define REACTION_PROB 0.0045 /* probability controlling reaction term */
#define DISSOCIATION_PROB 0.005 /* probability controlling dissociation reaction */
#define CENTER_COLLIDED_PARTICLES 0 /* set to 1 to recenter particles upon reaction (may interfere with thermostat) */
#define COLLISION_TIME 25 /* time during which collisions are shown */
#define PRINT_PARTICLE_NUMBER 0 /* set to 1 to print total number of particles */
#define PLOT_PARTICLE_NUMBER 0 /* set to 1 to make of plot of particle number over time */
#define PARTICLE_NB_PLOT_FACTOR 1.0 /* expected final number of particles over initial number */
#define PRINT_LEFT 0 /* set to 1 to print certain parameters at the top left instead of right */
#define PLOT_SPEEDS 0 /* set to 1 to add a plot of obstacle speeds (e.g. for rockets) */
#define PLOT_TRAJECTORIES 0 /* set to 1 to add a plot of obstacle trajectories (e.g. for rockets) */
#define VMAX_PLOT_SPEEDS 0.6 /* vertical scale of plot of obstacle speeds */
#define EHRENFEST_COPY 0 /* set to 1 to add equal number of larger particles (for Ehrenfest model) */
#define LID_MASS 1000.0 /* mass of lid for BC_RECTANGLE_LID b.c. */
#define LID_WIDTH 0.1 /* width of lid for BC_RECTANGLE_LID b.c. */
#define WALL_MASS 2000.0 /* mass of wall for BC_RECTANGLE_WALL b.c. */
#define WALL_FRICTION 0.0 /* friction on wall for BC_RECTANGLE_WALL b.c. */
#define WALL_WIDTH 0.1 /* width of wall for BC_RECTANGLE_WALL b.c. */
#define WALL_VMAX 100.0 /* max speed of wall */
#define WALL_TIME 0 /* time during which to keep wall */
#define NXMAZE 10 /* width of maze */
#define NYMAZE 10 /* height of maze */
#define MAZE_MAX_NGBH 4 /* max number of neighbours of maze cell */
#define RAND_SHIFT 200 /* seed of random number generator */
#define MAZE_XSHIFT 0.0 /* horizontal shift of maze */
#define FLOOR_FORCE 1 /* set to 1 to limit force on particle to FMAX */
// #define FMAX 1.0e10 /* maximal force */
#define FMAX 1.0e12 /* maximal force */
#define FLOOR_OMEGA 0 /* set to 1 to limit particle momentum to PMAX */
#define PMAX 1000.0 /* maximal force */
#define HASHX 150 /* size of hashgrid in x direction */
#define HASHY 75 /* size of hashgrid in y direction */
#define HASHMAX 100 /* maximal number of particles per hashgrid cell */
#define HASHGRID_PADDING 0.1 /* padding of hashgrid outside simulation window */
#define DRAW_COLOR_SCHEME 0 /* set to 1 to plot the color scheme */
#define COLORBAR_RANGE 8.0 /* scale of color scheme bar */
#define COLORBAR_RANGE_B 12.0 /* scale of color scheme bar for 2nd part */
#define ROTATE_COLOR_SCHEME 0 /* set to 1 to draw color scheme horizontally */
#define PARTICLE_COLOR_SCHEME 1 /* choice of particle colors */
#define PCS_HEIGHT 0 /* color depends on final height */
#define PCS_TREE 1 /* final position is a pine tree */
#define PCS_CIRCLE 2 /* final position is a circle */
#define PCS_NUMBER 3 /* final position is a number */
#define PCS_IMAGE 4 /* final position is taken from an image file (.ppm format) */
#define ADD_MESSAGE 0 /* set to 1 to add message at the end */
#define USE_RGB_COLORS 1 /* set to 1 to use RGB colors instead of hue */
#define BACKGROUND_HUE 300.0 /* hue of particles not in image */
#define NO_WRAP_BC ((BOUNDARY_COND != BC_PERIODIC)&&(BOUNDARY_COND != BC_PERIODIC_CIRCLE)&&(BOUNDARY_COND != BC_PERIODIC_TRIANGLE)&&(BOUNDARY_COND != BC_KLEIN)&&(BOUNDARY_COND != BC_PERIODIC_FUNNEL)&&(BOUNDARY_COND != BC_BOY)&&(BOUNDARY_COND != BC_GENUS_TWO))
#define PERIODIC_BC ((BOUNDARY_COND == BC_PERIODIC)||(BOUNDARY_COND == BC_PERIODIC_CIRCLE)||(BOUNDARY_COND == BC_PERIODIC_FUNNEL)||(BOUNDARY_COND == BC_PERIODIC_TRIANGLE))
#define TWO_OBSTACLES ((SEGMENT_PATTERN == S_TWO_CIRCLES_EXT)||(SEGMENT_PATTERN == S_TWO_ROCKETS))
double xshift = 0.0; /* x shift of shown window */
double xspeed = 0.0; /* x speed of obstacle */
double ylid = 0.9; /* y coordinate of lid (for BC_RECTANGLE_LID b.c.) */
double vylid = 0.0; /* y speed coordinate of lid (for BC_RECTANGLE_LID b.c.) */
double xwall = 0.0; /* x coordinate of wall (for BC_RECTANGLE_WALL b.c.) */
double vxwall = 0.0; /* x speed of wall (for BC_RECTANGLE_WALL b.c.) */
double angular_speed = 0.0; /* angular speed of rotating segments */
double xtrack = 0.0; /* traking coordinate */
double ytrack = 0.0; /* traking coordinate */
double xsegments[2] = {SEGMENTS_X0, -SEGMENTS_X0}; /* x coordinate of segments (for option MOVE_BOUNDARY) */
double ysegments[2] = {SEGMENTS_Y0, SEGMENTS_Y0}; /* y coordinate of segments (for option MOVE_BOUNDARY) */
double vxsegments[2] = {SEGMENTS_VX0, SEGMENTS_VX0}; /* vx coordinate of segments (for option MOVE_BOUNDARY) */
double vysegments[2] = {SEGMENTS_VY0, SEGMENTS_VY0}; /* vy coordinate of segments (for option MOVE_BOUNDARY) */
int thermostat_on = 1; /* thermostat switch used when VARY_THERMOSTAT is on */
#define THERMOSTAT_ON ((THERMOSTAT)&&((!VARY_THERMOSTAT)||(thermostat_on)))
#include "global_ljones.c"
#include "sub_maze.c"
#include "sub_lj.c"
#include "sub_hashgrid.c"
FILE *lj_time_series, *lj_final_position, *image_file;
/*********************/
/* animation part */
/*********************/
double repel_schedule(int i)
{
static double kexponent;
static int first = 1;
double krepel;
if (first)
{
kexponent = log(KREPEL_FACTOR)/(double)(INITIAL_TIME + NSTEPS);
first = 0;
}
krepel = KREPEL*exp(kexponent*(double)i);
printf("krepel = %.3lg\n", krepel);
return(krepel);
}
double temperature_schedule(int i)
{
static double bexponent, omega, bexp2;
static int first = 1, t1, t2, t3;
double beta;
if (first)
{
t1 = NSTEPS - MIDDLE_CONSTANT_PHASE - FINAL_DECREASE_PHASE - FINAL_CONSTANT_PHASE;
t2 = NSTEPS - FINAL_DECREASE_PHASE - FINAL_CONSTANT_PHASE;
t3 = NSTEPS - FINAL_CONSTANT_PHASE;
bexponent = log(BETA_FACTOR)/(double)(t1);
omega = N_TOSCILLATIONS*DPI/(double)(t1);
bexp2 = -log(BETA_FACTOR)/(double)(FINAL_DECREASE_PHASE);
first = 0;
}
if (i < INITIAL_TIME) beta = BETA;
else if (i < INITIAL_TIME + t1)
{
beta = BETA*exp(bexponent*(double)(i - INITIAL_TIME));
if (!NO_OSCILLATION) beta = beta*2.0/(1.0 + cos(omega*(double)(i - INITIAL_TIME)));
}
else if (i < INITIAL_TIME + t2) beta = BETA*BETA_FACTOR;
else if (i < INITIAL_TIME + t3)
{
beta = BETA*exp(bexp2*(double)(i - INITIAL_TIME - t3));
}
else beta = BETA;
printf("beta = %.3lg\n", beta);
return(beta);
}
double container_size_schedule(int i)
{
if ((i < INITIAL_TIME)||(i > INITIAL_TIME + NSTEPS - RESTORE_TIME)) return(INITXMIN);
else
return(INITXMIN + (1.0-COMPRESSION_RATIO)*(INITXMAX-INITXMIN)*(double)(i-INITIAL_TIME)/(double)(NSTEPS-RESTORE_TIME));
}
double obstacle_schedule_old(int i)
{
double time;
static double t1 = 0.5, t2 = 0.75, t3 = 0.875;
if (i < INITIAL_TIME) return(OBSTACLE_XMIN);
else
{
time = (double)(i-INITIAL_TIME)/(double)(NSTEPS);
if (time < t1) return(OBSTACLE_XMIN + (OBSTACLE_XMAX - OBSTACLE_XMIN)*time/t1);
else if (time < t2) return(OBSTACLE_XMIN + (OBSTACLE_XMAX - OBSTACLE_XMIN)*(time - t1)/(t2 - t1));
else if (time < t3) return(OBSTACLE_XMIN + (OBSTACLE_XMAX - OBSTACLE_XMIN)*(time - t2)/(t3 - t2));
else return(OBSTACLE_XMAX);
}
}
double obstacle_schedule(int i)
{
double time, acceleration = 40.0;
double x;
// static double t1 = 0.5, t2 = 0.75, t3 = 0.875;
if (i < INITIAL_TIME) return(OBSTACLE_XMIN);
else
{
time = (double)(i-INITIAL_TIME)/(double)(NSTEPS);
x = OBSTACLE_XMIN + 0.5*acceleration*time*time;
xspeed = acceleration*time;
// while (x > OBSXMAX) x += OBSXMIN - OBSXMAX;
return(x);
}
}
double obstacle_schedule_smooth(int i, int j)
{
double time, acceleration = 50.0;
double x;
// static double t1 = 0.5, t2 = 0.75, t3 = 0.875;
if (i < INITIAL_TIME) return(OBSTACLE_XMIN);
else
{
time = ((double)(i-INITIAL_TIME) + (double)j/(double)NVID)/(double)(NSTEPS);
x = OBSTACLE_XMIN + 0.5*acceleration*time*time;
xspeed = acceleration*time;
// while (x > OBSXMAX) x += OBSXMIN - OBSXMAX;
return(x);
}
}
double gravity_schedule(int i, int j)
{
double time, gravity, x, y;
switch (GRAVITY_SCHEDULE){
case (G_INCREASE_RELEASE):
{
if ((i < INITIAL_TIME + GRAVITY_INITIAL_TIME)||(i > NSTEPS + INITIAL_TIME - GRAVITY_RESTORE_TIME)) return(GRAVITY);
else
{
time = ((double)(i - INITIAL_TIME - GRAVITY_INITIAL_TIME)
+ (double)j/(double)NVID)/(double)(NSTEPS - GRAVITY_RESTORE_TIME - GRAVITY_INITIAL_TIME);
gravity = GRAVITY*(1.0 + time*(GRAVITY_FACTOR - 1.0));
return(gravity);
}
break;
}
case (G_INCREASE_DECREASE):
{
if ((i < INITIAL_TIME + GRAVITY_INITIAL_TIME)||(i > NSTEPS + INITIAL_TIME - GRAVITY_RESTORE_TIME)) return(GRAVITY);
else
{
time = ((double)(i - INITIAL_TIME - GRAVITY_INITIAL_TIME)
+ (double)j/(double)NVID)/(double)(NSTEPS - GRAVITY_RESTORE_TIME - GRAVITY_INITIAL_TIME);
x = 2.0 - cos(DPI*time);
y = 0.5*((GRAVITY_FACTOR - 1.0)*x + 3.0 - GRAVITY_FACTOR);
gravity = GRAVITY*y;
return(gravity);
}
break;
}
}
}
double rotation_angle(double phase)
{
/* case of rotating hourglass */
// while (phase > DPI) phase -= DPI;
// return(phase - 0.5*sin(2.0*phase));
/* case of centrifuge */
// while (phase > 1.0) phase -= 1.0;
// phase *= DPI;
// angular_speed = 0.5*OMEGAMAX*(1.0 - cos(phase));
// return(0.5*OMEGAMAX*(phase - sin(phase)));
/* case of centrifuge remaining at constant speed for a while */
if (phase < ROTATE_CHANGE_TIME)
{
// angular_speed = 0.5*OMEGAMAX*(1.0 - cos(phase*PI/ROTATE_CHANGE_TIME));
return(0.5*OMEGAMAX*(phase - (ROTATE_CHANGE_TIME/PI)*sin(phase*PI/ROTATE_CHANGE_TIME)));
}
else if (phase < 1.0 - ROTATE_CHANGE_TIME)
{
// angular_speed = OMEGAMAX;
return(0.5*OMEGAMAX*(2.0*phase - ROTATE_CHANGE_TIME));
}
else
{
// angular_speed = 0.5*OMEGAMAX*(1.0 + cos((phase - 1.0 + ROTATE_CHANGE_TIME)*PI/ROTATE_CHANGE_TIME));
return(0.5*OMEGAMAX*(2.0 - 2.0*ROTATE_CHANGE_TIME + phase - 1.0 + (ROTATE_CHANGE_TIME/PI)*sin((1.0-phase)*PI/ROTATE_CHANGE_TIME)));
}
}
double rotation_schedule(int i)
{
double phase;
static int imin = INITIAL_TIME + ROTATE_INITIAL_TIME, imax = INITIAL_TIME + NSTEPS - ROTATE_FINAL_TIME;
if (i < imin)
{
angular_speed = 0.0;
return(0.0);
}
else
{
if (i > imax) i = imax;
phase = (DPI/(double)PERIOD_ROTATE_BOUNDARY)*(double)(i - imin);
return(rotation_angle(phase));
}
}
double rotation_schedule_smooth(int i, int j)
{
double phase, angle, phase1, angle1;
static int imin = INITIAL_TIME + ROTATE_INITIAL_TIME, imax = INITIAL_TIME + NSTEPS - ROTATE_FINAL_TIME;
if (i < imin)
{
angular_speed = 0.0;
return(0.0);
}
else
{
if (i > imax)
{
angle = rotation_angle(1.0);
angular_speed = 0.0;
}
else
{
phase = (1.0/(double)(imax - imin))*((double)(i - imin) + (double)j/(double)NVID);
angle = rotation_angle(phase);
phase1 = (1.0/(double)(imax - imin))*((double)(i + 1 - imin) + (double)j/(double)NVID);
angle1 = rotation_angle(phase1);
angular_speed = 25.0*(angle1 - angle);
}
return(angle);
}
}
int thermostat_schedule(int i)
{
if (i < INITIAL_TIME) return(1);
else return(0);
}
double evolve_particles(t_particle particle[NMAXCIRCLES], t_hashgrid hashgrid[HASHX*HASHY],
double qx[NMAXCIRCLES], double qy[NMAXCIRCLES], double qangle[NMAXCIRCLES],
double px[NMAXCIRCLES], double py[NMAXCIRCLES], double pangle[NMAXCIRCLES],
double beta, int *nactive, int *nsuccess, int *nmove, int initial_phase)
{
double a, totalenergy = 0.0, damping;
static double b = 0.25*SIGMA*SIGMA*DT_PARTICLE/MU_XI, xi = 0.0;
int j, move;
if (initial_phase) damping = INITIAL_DAMPING;
else damping = DAMPING;
#pragma omp parallel for private(j,xi,totalenergy,a,move)
for (j=0; j<ncircles; j++) if (particle[j].active)
{
particle[j].vx = px[j] + 0.5*DT_PARTICLE*particle[j].fx;
particle[j].vy = py[j] + 0.5*DT_PARTICLE*particle[j].fy;
particle[j].omega = pangle[j] + 0.5*DT_PARTICLE*particle[j].torque;
px[j] = particle[j].vx + 0.5*DT_PARTICLE*particle[j].fx;
py[j] = particle[j].vy + 0.5*DT_PARTICLE*particle[j].fy;
pangle[j] = particle[j].omega + 0.5*DT_PARTICLE*particle[j].torque;
particle[j].energy = (px[j]*px[j] + py[j]*py[j])*particle[j].mass_inv;
if ((COUPLE_ANGLE_TO_THERMOSTAT)&&(particle[j].thermostat))
particle[j].energy += pangle[j]*pangle[j]*particle[j].inertia_moment_inv;
qx[j] = particle[j].xc + 0.5*DT_PARTICLE*px[j]*particle[j].mass_inv;
qy[j] = particle[j].yc + 0.5*DT_PARTICLE*py[j]*particle[j].mass_inv;
qangle[j] = particle[j].angle + 0.5*DT_PARTICLE*pangle[j]*particle[j].inertia_moment_inv;
if ((THERMOSTAT_ON)&&(particle[j].thermostat))
{
px[j] *= exp(- 0.5*DT_PARTICLE*xi);
py[j] *= exp(- 0.5*DT_PARTICLE*xi);
}
if ((COUPLE_ANGLE_TO_THERMOSTAT)&&(particle[j].thermostat))
pangle[j] *= exp(- 0.5*DT_PARTICLE*xi);
}
/* compute kinetic energy */
// *nactive = 0;
for (j=0; j<ncircles; j++)
if ((particle[j].active)&&(particle[j].thermostat))
{
totalenergy += particle[j].energy;
// *nactive++;
}
totalenergy *= DIMENSION_FACTOR; /* normalize energy to take number of degrees of freedom into account */
if (THERMOSTAT_ON)
{
a = DT_PARTICLE*(totalenergy - (double)*nactive/beta)/MU_XI;
a += SIGMA*sqrt(DT_PARTICLE)*gaussian();
xi = (xi + a - b*xi)/(1.0 + b);
}
move = 0;
for (j=0; j<ncircles; j++) if (particle[j].active)
{
if ((THERMOSTAT_ON)&&(particle[j].thermostat))
{
px[j] *= exp(- 0.5*DT_PARTICLE*xi);
py[j] *= exp(- 0.5*DT_PARTICLE*xi);
}
else
{
px[j] *= exp(- DT_PARTICLE*damping);
py[j] *= exp(- DT_PARTICLE*damping);
pangle[j] *= exp(- DT_PARTICLE*damping);
}
if ((THERMOSTAT_ON)&&(COUPLE_ANGLE_TO_THERMOSTAT)&&(particle[j].thermostat))
pangle[j] *= exp(- 0.5*DT_PARTICLE*xi);
particle[j].xc = qx[j] + 0.5*DT_PARTICLE*px[j]*particle[j].mass_inv;
particle[j].yc = qy[j] + 0.5*DT_PARTICLE*py[j]*particle[j].mass_inv;
particle[j].angle = qangle[j] + 0.5*DT_PARTICLE*pangle[j]*particle[j].inertia_moment_inv;
// particle[j].vx = px[j] + 0.5*DT_PARTICLE*particle[j].fx;
// particle[j].vy = py[j] + 0.5*DT_PARTICLE*particle[j].fy;
// particle[j].omega = pangle[j] + 0.5*DT_PARTICLE*particle[j].torque;
/* TO DO: move this to function wrap_particle */
if ((BOUNDARY_COND == BC_PERIODIC_CIRCLE)||(BOUNDARY_COND == BC_PERIODIC_FUNNEL)||(BOUNDARY_COND == BC_PERIODIC_TRIANGLE))
{
// if (particle[j].xc < BCXMIN)
if (particle[j].xc < xshift + BCXMIN)
{
particle[j].xc += BCXMAX - BCXMIN;
if (RESAMPLE_Y)
{
*nmove++;
if (resample_particle(j, NTRIALS, particle) == 1)
{
px[j] = particle[j].vx;
py[j] = particle[j].vy;
update_hashgrid(particle, hashgrid, 0);
*nsuccess++;
}
}
}
// else if (particle[j].xc > BCXMAX)
else if (particle[j].xc > xshift + BCXMAX)
{
particle[j].xc += BCXMIN - BCXMAX;
}
if (particle[j].yc > BCYMAX) particle[j].yc += BCYMIN - BCYMAX;
else if (particle[j].yc < BCYMIN) particle[j].yc += BCYMAX - BCYMIN;
}
else if (!NO_WRAP_BC)
{
move += wrap_particle(&particle[j], &px[j], &py[j]);
}
// if (move > 0)
// {
// compute_relative_positions(particle, hashgrid);
// update_hashgrid(particle, hashgrid, 0); /* REDUNDANT ? */
// }
}
return(totalenergy);
}
void evolve_lid(double fboundary)
{
double force;
force = fboundary - GRAVITY*LID_MASS;
if (ylid > BCYMAX + LID_WIDTH) force -= KSPRING_BOUNDARY*(ylid - BCYMAX - LID_WIDTH);
vylid += force*DT_PARTICLE/LID_MASS;
ylid += vylid*DT_PARTICLE;
}
void evolve_wall(double fboundary)
{
double force;
force = fboundary;
if (xwall > BCYMAX - WALL_WIDTH) force -= KSPRING_BOUNDARY*(xwall - BCYMAX + WALL_WIDTH);
else if (xwall < BCYMIN + WALL_WIDTH) force += KSPRING_BOUNDARY*(BCYMIN + WALL_WIDTH - xwall);
force -= vxwall*WALL_FRICTION;
vxwall += fboundary*DT_PARTICLE/WALL_MASS;
if (vxwall > WALL_VMAX) vxwall = WALL_VMAX;
else if (vxwall < -WALL_VMAX) vxwall = -WALL_VMAX;
xwall += vxwall*DT_PARTICLE;
// printf("fboundary = %.3lg, xwall = %.3lg, vxwall = %.3lg\n", fboundary, xwall, vxwall);
}
void evolve_segments(t_segment segment[NMAXSEGMENTS], int time)
{
int i, nactive = 0, group;
double fx[2] = {0.0, 0.0}, fy[2] = {0.0, 0.0}, x, y, padding = 3.0*MU, mass2 = SEGMENTS_MASS;
if (SEGMENT_PATTERN == S_TWO_CIRCLES_EXT) mass2 = SEGMENTS_MASS*TWO_CIRCLES_RADIUS_RATIO;
for (group=0; group<2; group++)
{
fx[group] = 0.0;
fy[group] = 0.0;
}
for (i=0; i<nsegments; i++) if (segment[i].active)
{
group = segment[i].group;
fx[group] += segment[i].fx;
fy[group] += segment[i].fy;
nactive++;
if (BOUNDARY_COND == BC_SCREEN) /* add force from simulation boundary */
{
x = 0.5*(segment[i].x1 + segment[i].x2);
y = 0.5*(segment[i].y1 + segment[i].y2);
if (x < XMIN + padding) fx[group] += KSPRING_BOUNDARY*(XMIN + padding - x);
else if (x > XMAX - padding) fx[group] -= KSPRING_BOUNDARY*(x - XMAX + padding);
if (y < YMIN + padding) fy[group] += KSPRING_BOUNDARY*(YMIN + padding - y);
else if (y > YMAX - padding) fy[group] -= KSPRING_BOUNDARY*(y - YMAX + padding);
}
else if (BOUNDARY_COND == BC_REFLECT_ABS) /* add force from simulation boundary */
{
y = 0.5*(segment[i].y1 + segment[i].y2);
if (y < YMIN) fy[group] += KSPRING_BOUNDARY*(YMIN - y);
}
if (group == 0) fy[group] -= GRAVITY*SEGMENTS_MASS;
else fy[group] -= GRAVITY*mass2;
}
if (nactive > 0) for (group=0; group<2; group++)
{
fx[group] = fx[group]/(double)nactive;
fy[group] = fy[group]/(double)nactive;
}
if (FLOOR_FORCE)
{
if (fx[0] > FMAX) fx[0] = FMAX;
else if (fx[0] < -FMAX) fx[0] = -FMAX;
if (fy[0] > FMAX) fy[0] = FMAX;
else if (fy[0] < -FMAX) fy[0] = -FMAX;
}
vxsegments[0] += fx[0]*DT_PARTICLE/SEGMENTS_MASS;
vysegments[0] += fy[0]*DT_PARTICLE/SEGMENTS_MASS;
xsegments[0] += vxsegments[0]*DT_PARTICLE;
ysegments[0] += vysegments[0]*DT_PARTICLE;
if (TWO_OBSTACLES)
{
if (FLOOR_FORCE)
{
if (fx[1] > FMAX) fx[1] = FMAX;
else if (fx[1] < -FMAX) fx[1] = -FMAX;
if (fy[1] > FMAX) fy[1] = FMAX;
else if (fy[1] < -FMAX) fy[1] = -FMAX;
}
vxsegments[1] += fx[1]*DT_PARTICLE/mass2;
vysegments[1] += fy[1]*DT_PARTICLE/mass2;
xsegments[1] += vxsegments[1]*DT_PARTICLE;
ysegments[1] += vysegments[1]*DT_PARTICLE;
}
/* add some damping if y coordinate is small (for lunar landing) */
if (DAMP_SEGS_AT_NEGATIVE_Y)
for (group=0; group<2; group++)
if (ysegments[group] < 0.1)
{
vysegments[group] *= exp(-DAMPING*DT_PARTICLE);
vxsegments[group] *= exp(-DAMPING*DT_PARTICLE);
}
/* to avoid numerical instabilities */
for (group=0; group<2; group++)
{
if (xsegments[group] + 1.0 > BCXMAX)
{
xsegments[group] = BCXMAX - 1.0;
vxsegments[group] = 0.0;
}
if ((RELEASE_ROCKET_AT_DEACTIVATION)&&((BOUNDARY_COND == BC_REFLECT_ABS)||(BOUNDARY_COND == BC_ABSORBING)))
{
// ysegments[group] = SEGMENTS_Y0;
if (time < SEGMENT_DEACTIVATION_TIME) vysegments[group] = 0.0;
else if ((ysegments[group] < SEGMENTS_Y0)&&(vysegments[group] < 0.0))
vysegments[group] = -0.5*vysegments[group];
}
}
translate_segments(segment, xsegments, ysegments);
}
void evolve_segment_groups(t_segment segment[NMAXSEGMENTS], int time, t_group_segments segment_group[NMAXGROUPS])
/* new version of evolve_segments that takes the group structure into account */
{
double fx[NMAXGROUPS], fy[NMAXGROUPS], torque[NMAXGROUPS], dx[NMAXGROUPS], dy[NMAXGROUPS], dalpha[NMAXGROUPS];
double x, y, dx0, dy0, padding, proj, distance, f, xx[2], yy[2], xmean = 0.0, ymean = 0.0;
int i, j, k, group = 0;
static double maxdepth, saturation_depth;
maxdepth = 0.5*GROUP_WIDTH;
saturation_depth = 0.1*GROUP_WIDTH;
padding = 0.1;
for (group=0; group<ngroups; group++)
{
fx[group] = 0.0;
fy[group] = 0.0;
torque[group] = 0.0;
}
/* only groups of segments of index 1 or larger are mobile */
for (i=0; i<nsegments; i++) if ((segment[i].active)&&(segment[i].group > 0))
{
group = segment[i].group;
fx[group] += segment[i].fx;
fy[group] += segment[i].fy;
torque[group] += segment[i].torque;
dx0 = segment[i].xc - segment_group[group].xc;
dy0 = segment[i].yc - segment_group[group].yc;
torque[group] += dx0*segment[i].fy - dy0*segment[i].fx;
if (BOUNDARY_COND == BC_SCREEN) /* add force from simulation boundary */
{
x = 0.5*(segment[i].x1 + segment[i].x2);
y = 0.5*(segment[i].y1 + segment[i].y2);
if (x < XMIN + padding) fx[group] += KSPRING_BOUNDARY*(XMIN + padding - x);
else if (x > XMAX - padding) fx[group] -= KSPRING_BOUNDARY*(x - XMAX + padding);
if (y < YMIN + padding) fy[group] += KSPRING_BOUNDARY*(YMIN + padding - y);
else if (y > YMAX - padding) fy[group] -= KSPRING_BOUNDARY*(y - YMAX + padding);
}
else if (BOUNDARY_COND == BC_REFLECT_ABS) /* add force from simulation boundary */
{
y = 0.5*(segment[i].y1 + segment[i].y2);
if (y < YMIN) fy[group] += KSPRING_BOUNDARY*(YMIN - y);
}
/* repulsion between different groups */
if (GROUP_REPULSION) for (j=0; j<nsegments; j++) if ((segment[j].active)&&(segment[j].group != group))
{
xx[0] = segment[j].x1;
yy[0] = segment[j].y1;
xx[1] = segment[j].x2;
yy[1] = segment[j].y2;
for (k=0; k<2; k++)
{
x = xx[k];
y = yy[k];
proj = (segment[i].ny*(x - segment[i].x1) - segment[i].nx*(y - segment[i].y1))/segment[i].length;
if ((proj > 0.0)&&(proj < 1.0))
{
distance = segment[i].nx*x + segment[i].ny*y - segment[i].c;
if ((distance > -maxdepth)&&(distance < 0.0))
{
if (distance < -saturation_depth) distance = -saturation_depth;
f = KSPRING_GROUPS*(-distance);
segment[j].fx += f*segment[i].nx;
segment[j].fy += f*segment[i].ny;
segment[j].torque += (x - segment[i].xc)*f*segment[i].ny - (y - segment[i].yc)*f*segment[i].nx;
fx[group] -= f*segment[i].nx;
fy[group] -= f*segment[i].ny;
torque[group] -= (x - segment[i].xc)*f*segment[i].ny - (y - segment[i].yc)*f*segment[i].nx;
}
}
}
}
}
if (GROUP_G_REPEL) for (i=0; i<ngroups; i++) for (j=i+1; j<ngroups; j++)
{
x = segment_group[j].xc - segment_group[i].xc;
y = segment_group[j].yc - segment_group[i].yc;
distance = module2(x, y);
if (distance < GROUP_G_REPEL_RADIUS)
{
if (distance < 0.1*GROUP_G_REPEL_RADIUS) distance = 0.1*GROUP_G_REPEL_RADIUS;
f = KSPRING_GROUPS*(GROUP_G_REPEL_RADIUS - distance);
fx[j] += f*x/distance;
fy[j] += f*y/distance;
fx[i] -= f*x/distance;
fy[i] -= f*y/distance;
}
}
if (FLOOR_FORCE) for (group=1; group<ngroups; group++)
{
if (fx[group] > FMAX) fx[group] = FMAX;
else if (fx[group] < -FMAX) fx[group] = -FMAX;
if (fy[group] > FMAX) fy[group] = FMAX;
else if (fy[group] < -FMAX) fy[group] = -FMAX;
}
for (group=1; group<ngroups; group++)
{
fy[group] -= GRAVITY*segment_group[group].mass;
fx[group] += GRAVITY_X*segment_group[group].mass;
segment_group[group].vx += fx[group]*DT_PARTICLE/segment_group[group].mass;
segment_group[group].vy += fy[group]*DT_PARTICLE/segment_group[group].mass;
segment_group[group].omega += torque[group]*DT_PARTICLE/segment_group[group].moment_inertia;
segment_group[group].vx *= exp(- DT_PARTICLE*SEGMENT_GROUP_DAMPING);
segment_group[group].vy *= exp(- DT_PARTICLE*SEGMENT_GROUP_DAMPING);
segment_group[group].omega *= exp(- DT_PARTICLE*SEGMENT_GROUP_DAMPING);
dx[group] = segment_group[group].vx*DT_PARTICLE;
dy[group] = segment_group[group].vy*DT_PARTICLE;
dalpha[group] = segment_group[group].omega*DT_PARTICLE;
segment_group[group].xc += dx[group];
segment_group[group].yc += dy[group];
segment_group[group].angle += dalpha[group];
// printf("group %i: (dx, dy) = (%.3lg, %.3lg)\n", group, dx[group], dy[group]);
}
for (i=0; i<nsegments; i++) if ((segment[i].active)&&(segment[i].group > 0))
{
group = segment[i].group;
translate_one_segment(segment, i, dx[group], dy[group]);
rotate_one_segment(segment, i, dalpha[group], segment_group[group].xc, segment_group[group].yc);
}
if (TRACK_SEGMENT_GROUPS)
{
/* compute mean position */
for (group=1; group<ngroups; group++)
{
xmean += segment_group[group].xc;
ymean += segment_group[group].yc;
}
xmean = xmean/((double)(ngroups-1));
ymean = ymean/((double)(ngroups-1));
if (ymean > ytrack) ytrack = ymean;
if (xmean > XMAX - TRACK_X_PADDING)
xtrack = xmean - XMAX + TRACK_X_PADDING;
else if (xmean < XMIN + TRACK_X_PADDING)
xtrack = xmean - XMIN - TRACK_X_PADDING;
}
}
void draw_particles_movie(t_particle particle[NMAXCIRCLES], int plot, double beta)
{
int i, j, k, m, width, nnbg, nsides;
double ej, hue, huex, huey, rgb[3], rgbx[3], rgby[3], radius, x1, y1, x2, y2, angle, ca, sa, length, linkcolor, sign = 1.0, angle1, signy = 1.0, periodx, periody, x, y, lum, logratio;
char message[100];
if (!TRACER_PARTICLE) blank();
glColor3f(1.0, 1.0, 1.0);
/* show region of partial thermostat */
// if ((PARTIAL_THERMO_COUPLING)&&(PARTIAL_THERMO_REGION == TH_INBOX))
// {
// if (INCREASE_BETA)
// {
// logratio = log(beta/BETA)/log(0.5*BETA_FACTOR);
// if (logratio > 1.0) logratio = 1.0;
// else if (logratio < 0.0) logratio = 0.0;
// if (BETA_FACTOR > 1.0) hue = PARTICLE_HUE_MAX - (PARTICLE_HUE_MAX - PARTICLE_HUE_MIN)*logratio;
// else hue = PARTICLE_HUE_MIN - (PARTICLE_HUE_MIN - PARTICLE_HUE_MAX)*logratio;
// }
// else hue = 0.25*PARTICLE_HUE_MIN + 0.75*PARTICLE_HUE_MAX;
// erase_area_hsl_turbo(0.0, YMIN, 2.0*PARTIAL_THERMO_WIDTH, PARTIAL_THERMO_HEIGHT*(YMAX - YMIN), hue, 0.9, 0.15);
//
// }
/* draw "altitude lines" */
if (ALTITUDE_LINES) draw_altitude_lines();
/* draw the bonds first */
// if ((DRAW_BONDS)||(plot == P_BONDS))
// {
// glLineWidth(LINK_WIDTH);
// for (j=0; j<ncircles; j++) if (particle[j].active) draw_one_particle_links(particle[j]);
// }
//
// /* fill triangles between particles */
// if (FILL_TRIANGLES) draw_triangles(particle, plot);
/* determine particle color and size */
printf("ncircles = %i\n", ncircles);
for (j=0; j<ncircles; j++) if (particle[j].active)
{
// compute_particle_colors(particle[j], plot, rgb, rgbx, rgby, &radius, &width);
hue = particle[j].color_hue;
radius = particle[j].radius;
width = BOUNDARY_WIDTH;
if (USE_RGB_COLORS) for (k=0; k<3; k++)
{
rgb[k] = (double)particle[j].color_rgb[k]/256.0;
rgbx[k] = (double)particle[j].color_rgb[k]/256.0;
rgby[k] = (double)particle[j].color_rgb[k]/256.0;
}
else
{
hsl_to_rgb(hue, 0.9, 0.5, rgb);
hsl_to_rgb(hue, 0.9, 0.5, rgbx);
hsl_to_rgb(hue, 0.9, 0.5, rgby);
}
switch (particle[j].interaction) {
case (I_LJ_DIRECTIONAL):
{
nsides = 4;
break;
}
case (I_LJ_PENTA):
{
nsides = 5;
break;
}
case (I_LJ_QUADRUPOLE):
{
nsides = 4;
break;
}
case (I_LJ_WATER):
{
nsides = NSEG;
radius *= 0.75;
break;
}
default: nsides = NSEG;
}
angle = particle[j].angle + APOLY*DPI;
draw_one_particle(particle[j], particle[j].xc, particle[j].yc, radius, angle, nsides, width, rgb);
/* in case of periodic b.c., draw translates of particles */
if (PERIODIC_BC)
{
x1 = particle[j].xc;
y1 = particle[j].yc;
for (i=-2; i<3; i++)
for (k=-1; k<2; k++)
draw_one_particle(particle[j], x1 + (double)i*(BCXMAX - BCXMIN), y1 + (double)k*(BCYMAX - BCYMIN), radius, angle, nsides, width, rgb);
}
else if (BOUNDARY_COND == BC_KLEIN)
{
x1 = particle[j].xc;
y1 = particle[j].yc;
for (i=-2; i<3; i++)
{
if (vabs(i) == 1) sign = -1.0;
else sign = 1.0;
angle1 = angle*sign;
for (k=-1; k<2; k++)
draw_one_particle(particle[j], x1 + (double)i*(BCXMAX - BCXMIN), sign*(y1 + (double)k*(BCYMAX - BCYMIN)),
radius, angle1, nsides, width, rgb);
}
}
else if (BOUNDARY_COND == BC_BOY)
{
x1 = particle[j].xc;
y1 = particle[j].yc;
for (i=-1; i<2; i++) for (k=-1; k<2; k++)
{
if (vabs(i) == 1) sign = -1.0;
else sign = 1.0;
if (vabs(k) == 1) signy = -1.0;
else signy = 1.0;
if (signy == 1.0) angle1 = angle*sign;
else angle1 = PI - angle;
if (sign == -1.0) draw_one_particle(particle[j], signy*(x1 + (double)i*(BCXMAX - BCXMIN)),
sign*(y1 + (double)k*(BCYMAX - BCYMIN)), radius, angle1, nsides, width, rgbx);
else if (signy == -1.0) draw_one_particle(particle[j], signy*(x1 + (double)i*(BCXMAX - BCXMIN)),
sign*(y1 + (double)k*(BCYMAX - BCYMIN)), radius, angle1, nsides, width, rgby);
else draw_one_particle(particle[j], signy*(x1 + (double)i*(BCXMAX - BCXMIN)),
sign*(y1 + (double)k*(BCYMAX - BCYMIN)), radius, angle1, nsides, width, rgb);
}
}
else if (BOUNDARY_COND == BC_GENUS_TWO)
{
x1 = particle[j].xc;
y1 = particle[j].yc;
if (x1 < 0.0) periody = BCYMAX - BCYMIN;
else periody = 0.5*(BCYMAX - BCYMIN);
if (y1 < 0.0) periodx = BCXMAX - BCXMIN;
else periodx = 0.5*(BCXMAX - BCXMIN);
if ((x1 < 0.0)&&(y1 < 0.0))
for (i=-1; i<2; i++)
for (k=-1; k<2; k++)
{
x = x1 + (double)i*periodx;
y = y1 + (double)k*periody;
draw_one_particle(particle[j], x, y, radius, angle, nsides, width, rgb);
}
else if ((x1 < 0.0)&&(y1 >= 0.0))
for (i=-1; i<2; i++)
for (k=-1; k<2; k++)
{
x = x1 + (double)i*periodx;
y = y1 + (double)k*periody;
if (x < 1.2*particle[j].radius)
draw_one_particle(particle[j], x, y, radius, angle, nsides, width, rgb);
}
else if ((x1 >= 0.0)&&(y1 < 0.0))
for (i=-1; i<2; i++)
for (k=-1; k<2; k++)
{
x = x1 + (double)i*periodx;
y = y1 + (double)k*periody;
if (y < 1.2*particle[j].radius)
draw_one_particle(particle[j], x, y, radius, angle, nsides, width, rgb);
}
}
}
// /* draw spin vectors */
if ((DRAW_SPIN)||(DRAW_SPIN_B))
{
glLineWidth(width);
for (j=0; j<ncircles; j++)
if ((particle[j].active)&&(((DRAW_SPIN)&&(particle[j].type == 0))||((DRAW_SPIN_B)&&(particle[j].type == 1))))
{
// x1 = particle[j].xc - 2.0*MU*cos(particle[j].angle);
// y1 = particle[j].yc - 2.0*MU*sin(particle[j].angle);
x1 = particle[j].xc;
// if (CENTER_VIEW_ON_OBSTACLE) x1 -= xshift;
y1 = particle[j].yc;
x2 = particle[j].xc + 2.0*MU*cos(particle[j].angle);
// if (CENTER_VIEW_ON_OBSTACLE) x2 -= xshift;
y2 = particle[j].yc + 2.0*MU*sin(particle[j].angle);
draw_line(x1, y1, x2, y2);
}
}
}
double tree_side(double y)
{
double slope, h;
slope = 1.0/tan(PID*2.0/3.0);
h = slope/6.0;
if (y < 0.0) return(0.0);
if (y > 1.0) return(0.0);
if (y < 1.0/3.0) return(slope - 2.0*h - slope*y);
if (y < 2.0/3.0) return(slope - h - slope*y);
return(slope - slope*y);
}
int tree_test(double x, double y, double ymin, double ymax)
{
double xmax;
if (y < ymin) return(0);
if (y > ymax) return(0);
xmax = tree_side((y-ymin)/(ymax-ymin));
if (vabs(x) < xmax) return(1);
else return(0);
}
int number_test(double x, double y, double xmin, double xmax, double ymin, double ymax)
{
int i, n;
double x1, y1, xx[4], dx, r;
if (x < xmin) return(0);
if (x > xmax) return(0);
if (y < ymin) return(0);
if (y > ymax) return(0);
dx = 0.25*(xmax-xmin);
for (i=0; i<4; i++) xx[i] = xmin + (double)i*dx;
n = (int)(4.0*(x-xmin)/(xmax-xmin));
x1 = (x - xx[n])/dx;
y1 = (y-ymin)/(ymax-ymin);
switch(n) {
case (0): /* number 2 */
{
if (x1 < 0.1) return(0);
if (x1 > 0.9) return(0);
if (y1 < 0.05) return(0);
if (y1 < 0.2) return(1);
if (y1 < 0.425) return(x1 < 0.25);
if (y1 < 0.575) return(1);
if (y1 < 0.8) return(x1 > 0.75);
if (y1 < 0.95) return(1);
return(0);
}
case (1): /* number 0 */
{
r = module2(x1 - 0.5, y1 - 0.5);
if ((r < 0.45)&&(r > 0.3)) return(2);
else return(0);
}
case (2): /* number 2 */
{
if (x1 < 0.1) return(0);
if (x1 > 0.9) return(0);
if (y1 < 0.05) return(0);
if (y1 < 0.2) return(3);
if (y1 < 0.425) return(3*(x1 < 0.25));
if (y1 < 0.575) return(3);
if (y1 < 0.8) return(3*(x1 > 0.75));
if (y1 < 0.95) return(3);
return(0);
}
case (3): /* number 3 */
{
if (x1 < 0.1) return(0);
if (x1 > 0.9) return(0);
if (y1 < 0.05) return(0);
if (y1 < 0.2) return(4);
if (y1 < 0.425) return(4*(x1 > 0.75));
if (y1 < 0.575) return(4*(x1 > 0.25));
if (y1 < 0.8) return(4*(x1 > 0.75));
if (y1 < 0.95) return(4);
return(0);
}
}
return(n+1);
}
int choose_colors(int* active_particles, t_particle *particle)
{
int i, j, k, i1, j1, n, scan, nactive, nx, ny, maxrgb, rgbval, nmaxpixels = 100000, rgbint[3];
double x, y, ymin = YMAX, ymax = YMIN, xmin, xmax, x1, y1, rgb[3];
double *x_values, *y_values;
int *rgb_values;
x_values = (double *)malloc(NMAXCIRCLES*sizeof(double));
y_values = (double *)malloc(NMAXCIRCLES*sizeof(double));
scan = fscanf(lj_final_position,"%i\n", &nactive);
for (i=0; i<nactive; i++)
{
scan = fscanf(lj_final_position,"%i\n", &j);
scan = fscanf(lj_final_position,"%lf\n", &x);
scan = fscanf(lj_final_position,"%lf\n", &y);
active_particles[i] = j;
x_values[i] = x;
y_values[i] = y;
if (y < ymin) ymin = y;
if (y > ymax) ymax = y;
}
if (PARTICLE_COLOR_SCHEME == PCS_IMAGE)
{
image_file = fopen("Lennard-Jones_image.ppm", "r");
rgb_values = (int *)malloc(3*nmaxpixels*sizeof(int));
scan = fscanf(image_file,"%i %i\n", &nx, &ny);
scan = fscanf(image_file,"%i\n", &maxrgb);
printf("%i columns, %i rows, %i colors\n", nx, ny, maxrgb);
if (nx*ny > nmaxpixels)
{
printf("Image too large, increase nmaxpixels in choose_colors()\n");
exit(0);
}
for (j=0; j<ny; j++)
for (i=0; i<nx; i++)
for (k=0; k<3; k++)
{
scan = fscanf(image_file,"%i\n", &rgbval);
rgb_values[3*(j*nx+i)+k] = rgbval;
}
}
for (i=0; i<nactive; i++)
{
j = active_particles[i];
x = x_values[i];
y = y_values[i];
switch(PARTICLE_COLOR_SCHEME) {
case (PCS_HEIGHT):
{
particle[j].color_hue = 360.0*(y - ymin)/(ymax - ymin);
break;
}
case (PCS_TREE):
{
if (tree_test(x,y, -1.0, 0.21)) particle[j].color_hue = 220.0;
else particle[j].color_hue = 60.0;
break;
}
case (PCS_CIRCLE):
{
if (module2(x, y + 0.5) < 0.5) particle[j].color_hue = 330.0;
else particle[j].color_hue = 120.0;
break;
}
case (PCS_NUMBER):
{
ymin = YMIN + 0.1;
ymax = -0.4;
xmin = -1.1;
xmax = 1.1;
switch (number_test(x, y, xmin, xmax, ymin, ymax)) {
case (1):
{
particle[j].color_hue = 15.0;
break;
}
case (2):
{
particle[j].color_hue = 60.0;
break;
}
case (3):
{
particle[j].color_hue = 30.0;
break;
}
case (4):
{
particle[j].color_hue = 90.0;
break;
}
default: particle[j].color_hue = 260.0;
}
break;
}
case (PCS_IMAGE):
{
xmin = -0.5;
xmax = 0.5;
ymin = YMIN;
ymax = ymin + (xmax-xmin)*(double)ny/(double)nx;
hsl_to_rgb(BACKGROUND_HUE, 0.9, 0.5, rgb);
for (k=0; k<3; k++) rgbint[k] = (int)(rgb[k]*256);
if ((x < xmin)||(x > xmax)||(y < ymin)||(y > ymax))
{
particle[j].color_hue = BACKGROUND_HUE;
for (k=0; k<3; k++) particle[j].color_rgb[k] = rgbint[k];
}
else
{
x1 = (x-xmin)/(xmax-xmin);
y1 = 1.0 - (y-ymin)/(ymax-ymin);
// y1 = (y-ymin)/(ymax-ymin);
i1 = (int)(x1*(double)nx);
j1 = (int)(y1*(double)ny);
n = 3*(j1*nx+i1);
if (USE_RGB_COLORS) for (k=0; k<3; k++)
{
particle[j].color_rgb[k] = rgb_values[n+k];
// particle[j].color_rgb[k] = 256.0*(double)rgb_values[n+k]/(double)maxrgb;
}
else particle[j].color_hue = 359.0*(1.0 - (double)rgb_values[n]/(double)maxrgb);
}
break;
}
default: particle[j].color_hue = 180.0;
}
}
free(x_values);
free(y_values);
if (PARTICLE_COLOR_SCHEME == PCS_IMAGE)
{
free(rgb_values);
fclose(image_file);
}
return(nactive);
}
void animation()
{
double time, scale, diss, rgb[3], dissip, gradient[2], x, y, dx, dy, dt, xleft, xright, a, b,
length, fx, fy, force[2], totalenergy = 0.0, krepel = KREPEL, pos[2], prop, vx,
beta = BETA, xi = 0.0, xmincontainer = BCXMIN, xmaxcontainer = BCXMAX, torque, torque_ij,
fboundary = 0.0, pleft = 0.0, pright = 0.0, entropy[2], mean_energy, gravity = GRAVITY, speed_ratio,
ymin, ymax;
double *qx, *qy, *px, *py, *qangle, *pangle, *pressure, *obstacle_speeds;
int i, j, k, n, m, s, ij[2], i0, iplus, iminus, j0, jplus, jminus, p, q, p1, q1, p2, q2, total_neighbours = 0,
min_nb, max_nb, close, wrapx = 0, wrapy = 0, nactive = 0, nadd_particle = 0, nmove = 0, nsuccess = 0,
tracer_n[N_TRACER_PARTICLES], traj_position = 0, traj_length = 0, move = 0, old, m0, floor, nthermo, wall = 0,
group, gshift, n_total_active = 0, scan, ncollisions = 0;
int *active_particles;
static int imin, imax;
static short int first = 1;
t_particle *particle;
t_obstacle *obstacle;
t_segment *segment;
t_group_segments *segment_group;
t_tracer *trajectory;
t_group_data *group_speeds;
t_collision *collisions;
t_hashgrid *hashgrid;
char message[100];
particle = (t_particle *)malloc(NMAXCIRCLES*sizeof(t_particle)); /* particles */
if (ADD_FIXED_OBSTACLES) obstacle = (t_obstacle *)malloc(NMAXOBSTACLES*sizeof(t_obstacle)); /* circular obstacles */
if (ADD_FIXED_SEGMENTS)
{
segment = (t_segment *)malloc(NMAXSEGMENTS*sizeof(t_segment)); /* linear obstacles */
segment_group = (t_group_segments *)malloc(NMAXGROUPS*sizeof(t_group_segments));
}
if (TRACER_PARTICLE) trajectory = (t_tracer *)malloc(TRAJECTORY_LENGTH*N_TRACER_PARTICLES*sizeof(t_tracer));
hashgrid = (t_hashgrid *)malloc(HASHX*HASHY*sizeof(t_hashgrid)); /* hashgrid */
qx = (double *)malloc(NMAXCIRCLES*sizeof(double));
qy = (double *)malloc(NMAXCIRCLES*sizeof(double));
px = (double *)malloc(NMAXCIRCLES*sizeof(double));
py = (double *)malloc(NMAXCIRCLES*sizeof(double));
qangle = (double *)malloc(NMAXCIRCLES*sizeof(double));
pangle = (double *)malloc(NMAXCIRCLES*sizeof(double));
pressure = (double *)malloc(N_PRESSURES*sizeof(double));
if (REACTION_DIFFUSION)
{
collisions = (t_collision *)malloc(2*NMAXCIRCLES*sizeof(t_collision));
for (i=0; i<2*NMAXCIRCLES; i++) collisions[i].time = 0;
}
lj_time_series = fopen("lj_time_series.dat", "r");
lj_final_position = fopen("lj_final_position.dat", "r");
active_particles = (int *)malloc(NMAXCIRCLES*sizeof(int));
/* initialise positions and radii of circles */
// init_particle_config(particle);
// init_hashgrid(hashgrid);
xshift = OBSTACLE_XMIN;
speed_ratio = (double)(25*NVID)*DT_PARTICLE;
if (ADD_FIXED_OBSTACLES) init_obstacle_config(obstacle);
if (ADD_FIXED_SEGMENTS) init_segment_config(segment);
if ((MOVE_SEGMENT_GROUPS)&&(ADD_FIXED_SEGMENTS))
{
for (i=0; i<ngroups; i++) init_segment_group(segment, i, segment_group);
group_speeds = (t_group_data *)malloc(ngroups*(INITIAL_TIME + NSTEPS)*sizeof(t_group_data));
}
if (RECORD_PRESSURES) for (i=0; i<N_PRESSURES; i++) pressure[i] = 0.0;
if (PLOT_SPEEDS) obstacle_speeds = (double *)malloc(2*ngroups*(INITIAL_TIME + NSTEPS)*sizeof(double));
// printf("1\n");
// nactive = initialize_configuration(particle, hashgrid, obstacle, px, py, pangle, tracer_n);
/* read data file for initial condition */
nactive = choose_colors(active_particles, particle);
ncircles = nactive;
// xi = 0.0;
// for (i=0; i<ncircles; i++)
// {
// printf("Particle %i at (%.3f, %.3f) of energy %.3f\n", i, particle[i].xc, particle[i].yc, particle[i].energy);
// }
sleep(1);
// update_hashgrid(particle, hashgrid, 1);
// compute_relative_positions(particle, hashgrid);
blank();
// glColor3f(0.0, 0.0, 0.0);
glutSwapBuffers();
sleep(SLEEP1);
for (i=0; i<NSTEPS; i++)
{
scan = fscanf(lj_time_series,"%i\n", &nactive);
printf("%i active particles\n", nactive);
for (j=0; j<nactive; j++)
{
scan = fscanf(lj_time_series,"%lf\n", &x);
scan = fscanf(lj_time_series,"%lf\n", &y);
// printf("Found particle %i at (%.2f, %.2f)\n", j, x, y);
n = active_particles[j];
particle[n].xc = x;
particle[n].yc = y;
particle[n].active = 1;
particle[n].type = 1;
particle[n].radius = MU;
}
// sleep(1);
printf("Computing frame %d\n",i);
// if (INCREASE_KREPEL) krepel = repel_schedule(i);
// if (INCREASE_BETA) beta = temperature_schedule(i);
// if (DECREASE_CONTAINER_SIZE)
// {
// xmincontainer = container_size_schedule(i);
// if (SYMMETRIC_DECREASE) xmaxcontainer = -container_size_schedule(i);
// }
// if ((ROTATE_BOUNDARY)&&(!SMOOTH_ROTATION)) rotate_segments(segment, rotation_schedule(i));
// if (VARY_THERMOSTAT)
// {
// thermostat_on = thermostat_schedule(i);
// printf("Termostat: %i\n", thermostat_on);
// }
/* deactivate some segments */
if ((ADD_FIXED_SEGMENTS)&&(DEACTIVATE_SEGMENT)&&(i == SEGMENT_DEACTIVATION_TIME + 1))
for (j=0; j<nsegments; j++) if (segment[j].inactivate) segment[j].active = 0;
// /* recolor particles in case if P_INITIAL_POS color code */
// if ((i <= INITIAL_TIME-1)&&(i%10 == 0)&&((PLOT == P_INITIAL_POS)||(PLOT_B == P_INITIAL_POS)))
// {
// printf("Recoloring particles\n");
// ymin = particle[0].yc;
// ymax = particle[0].yc;
// for (j=1; j<ncircles; j++) if (particle[j].active)
// {
// if (particle[j].yc < ymin) ymin = particle[j].yc;
// if (particle[j].yc > ymax) ymax = particle[j].yc;
// }
// for (j=0; j<ncircles; j++) if (particle[j].active)
// particle[j].color_hue = 360.0*(particle[j].yc - ymin)/(ymax - ymin);
// }
blank();
// fboundary = 0.0;
// pleft = 0.0;
// pright = 0.0;
// if (RECORD_PRESSURES) for (j=0; j<N_PRESSURES; j++) pressure[j] = 0.0;
// printf("evolving particles\n");
// for(n=0; n<NVID; n++)
// {
// if (MOVE_OBSTACLE)
// {
// xmincontainer = obstacle_schedule_smooth(i, n);
// xshift = xmincontainer;
// }
// if ((ROTATE_BOUNDARY)&&(SMOOTH_ROTATION)) rotate_segments(segment, rotation_schedule_smooth(i,n));
//
// if (INCREASE_GRAVITY) gravity = gravity_schedule(i,n);
// if ((BOUNDARY_COND == BC_RECTANGLE_WALL)&&(i < INITIAL_TIME + WALL_TIME)) wall = 1;
// else wall = 0;
//
// if ((MOVE_BOUNDARY)||(MOVE_SEGMENT_GROUPS)) for (j=0; j<nsegments; j++)
// {
// segment[j].fx = 0.0;
// segment[j].fy = 0.0;
// segment[j].torque = 0.0;
// }
// compute_relative_positions(particle, hashgrid);
// update_hashgrid(particle, hashgrid, 0);
/* compute forces on particles */
// for (j=0; j<ncircles; j++) if (particle[j].active)
// {
// particle[j].fx = 0.0;
// particle[j].fy = 0.0;
// particle[j].torque = 0.0;
//
// /* compute force from other particles */
// compute_particle_force(j, krepel, particle, hashgrid);
//
// /* take care of boundary conditions */
// fboundary += compute_boundary_force(j, particle, obstacle, segment, xmincontainer, xmaxcontainer, &pleft, &pright, pressure, wall);
//
// /* add gravity */
// if (INCREASE_GRAVITY) particle[j].fy -= gravity/particle[j].mass_inv;
// else
// {
// particle[j].fy -= GRAVITY/particle[j].mass_inv;
// particle[j].fx += GRAVITY_X/particle[j].mass_inv;
// }
//
// if (FLOOR_FORCE)
// {
// if (particle[j].fx > FMAX) particle[j].fx = FMAX;
// if (particle[j].fx < -FMAX) particle[j].fx = -FMAX;
// if (particle[j].fy > FMAX) particle[j].fy = FMAX;
// if (particle[j].fy < -FMAX) particle[j].fy = -FMAX;
// if (particle[j].torque > FMAX) particle[j].torque = FMAX;
// if (particle[j].torque < -FMAX) particle[j].torque = -FMAX;
// }
// }
/* timestep of thermostat algorithm */
// totalenergy = evolve_particles(particle, hashgrid, qx, qy, qangle, px, py, pangle, beta, &nactive, &nsuccess, &nmove, i < INITIAL_TIME);
/* evolution of lid coordinate */
// if (BOUNDARY_COND == BC_RECTANGLE_LID) evolve_lid(fboundary);
// if (BOUNDARY_COND == BC_RECTANGLE_WALL)
// {
// if (i < INITIAL_TIME + WALL_TIME) evolve_wall(fboundary);
// else xwall = 0.0;
// }
// if ((MOVE_BOUNDARY)&&(i > OBSTACLE_INITIAL_TIME)) evolve_segments(segment, i);
//
// if ((MOVE_SEGMENT_GROUPS)&&(i > OBSTACLE_INITIAL_TIME)) evolve_segment_groups(segment, i, segment_group);
// } /* end of for (n=0; n<NVID; n++) */
// if (SAVE_TIME_SERIES)
// {
// n_total_active = 0;
// for (j=0; j<ncircles; j++) if (particle[j].active) n_total_active++;
// fprintf(lj_time_series, "%i\n", n_total_active);
// for (j=0; j<ncircles; j++) if (particle[j].active)
// {
// fprintf(lj_time_series, "%.2f\n", particle[j].xc);
// fprintf(lj_time_series, "%.2f\n", particle[j].yc);
// }
// }
// printf("evolved particles\n");
if (PLOT_SPEEDS) /* record speeds of segments */
{
gshift = NSTEPS;
if (MOVE_SEGMENT_GROUPS) for (group = 1; group < ngroups; group++)
{
group_speeds[(group-1)*gshift + i].xc = segment_group[group].xc;
group_speeds[(group-1)*gshift + i].yc = segment_group[group].yc;
group_speeds[(group-1)*gshift + i].vx = segment_group[group].vx*speed_ratio;
group_speeds[(group-1)*gshift + i].vy = segment_group[group].vy*speed_ratio;
group_speeds[(group-1)*gshift + i].omega = segment_group[group].omega*speed_ratio;
}
else
{
obstacle_speeds[i] = vysegments[0];
obstacle_speeds[NSTEPS + i] = vysegments[1];
}
}
if (MOVE_BOUNDARY)
printf("segment[%i]: (fx, fy) = (%.3lg, %.3lg), torque = %.3lg)\n", i, fx, fy, torque);
if (MOVE_SEGMENT_GROUPS) for (group=1; group<ngroups; group++)
printf("segments position [%i] (%.3lg, %.3lg) angle %.3lg\n speed (%.3lg, %.3lg) omega %.3lg\n",
group, segment_group[group].xc, segment_group[group].yc, segment_group[group].angle, segment_group[group].vx, segment_group[group].vy, segment_group[group].omega);
// if ((PARTIAL_THERMO_COUPLING))
if ((PARTIAL_THERMO_COUPLING)&&(i>N_T_AVERAGE))
{
nthermo = partial_thermostat_coupling(particle, xshift + PARTIAL_THERMO_SHIFT);
printf("%i particles coupled to thermostat out of %i active\n", nthermo, nactive);
mean_energy = compute_mean_energy(particle);
}
else mean_energy = totalenergy/(double)ncircles;
// if (CENTER_PX) center_momentum(px);
// if (CENTER_PY) center_momentum(py);
// if (CENTER_PANGLE) center_momentum(pangle);
// if (FLOOR_OMEGA) floor = floor_momentum(pangle);
// printf("pressure left %.5lg, pressure right %.5lg\n", pleft, pright);
// for (j=0; j<N_PRESSURES; j++) printf("pressure[%i] = %.5lg\n", j, pressure[j]);
/* reset angular values to [0, 2 Pi) */
if (ROTATION) for (j=0; j<ncircles; j++)
{
while (particle[j].angle > DPI) particle[j].angle -= DPI;
while (particle[j].angle < 0.0) particle[j].angle += DPI;
}
/* update tracer particle trajectory */
if ((TRACER_PARTICLE))
{
for (j=0; j<N_TRACER_PARTICLES; j++)
{
trajectory[j*TRAJECTORY_LENGTH + traj_position].xc = particle[tracer_n[j]].xc;
trajectory[j*TRAJECTORY_LENGTH + traj_position].yc = particle[tracer_n[j]].yc;
}
traj_position++;
if (traj_position >= TRAJECTORY_LENGTH) traj_position = 0;
traj_length++;
if (traj_length >= TRAJECTORY_LENGTH) traj_length = TRAJECTORY_LENGTH - 1;
// for (j=0; j<traj_length; j++)
// printf("Trajectory[%i] = (%.3lg, %.3lg)\n", j, trajectory[j].xc, trajectory[j].yc);
}
// printf("Mean kinetic energy: %.3f\n", totalenergy/(double)ncircles);
// printf("Boundary force: %.3f\n", fboundary/(double)(ncircles*NVID));
// if (RESAMPLE_Y) printf("%i succesful moves out of %i trials\n", nsuccess, nmove);
// if (INCREASE_GRAVITY) printf("Gravity: %.3f\n", gravity);
total_neighbours = 0;
min_nb = 100;
max_nb = 0;
// for (j=0; j<ncircles; j++) if (particle[j].active)
// {
// total_neighbours += particle[j].neighb;
// if (particle[j].neighb > max_nb) max_nb = particle[j].neighb;
// if (particle[j].neighb < min_nb) min_nb = particle[j].neighb;
// }
// printf("Mean number of neighbours: %.3f\n", (double)total_neighbours/(double)ncircles);
// printf("Min number of neighbours: %i\n", min_nb);
// printf("Max number of neighbours: %i\n", max_nb);
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
printf("nactive = %i\n", nactive);
draw_particles_movie(particle, PLOT, beta);
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
/* add a particle */
// if ((ADD_PARTICLES)&&(i > ADD_TIME)&&((i - INITIAL_TIME - ADD_TIME)%ADD_PERIOD == 1)&&(i < NSTEPS - FINAL_NOADD_PERIOD))
// {
// for (k=0; k<N_ADD_PARTICLES; k++)
// nadd_particle = add_particles(particle, px, py, nadd_particle);
// }
/* case of reaction-diffusion equation */
if (REACTION_DIFFUSION) update_types(particle, collisions, ncollisions);
// update_hashgrid(particle, hashgrid, 1);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
if ((BOUNDARY_COND == BC_EHRENFEST)||(BOUNDARY_COND == BC_RECTANGLE_WALL))
print_ehrenfest_parameters(particle, pleft, pright);
else if (PRINT_PARTICLE_NUMBER) print_particle_number(ncircles);
if ((i > INITIAL_TIME + WALL_TIME)&&(PRINT_ENTROPY))
{
compute_entropy(particle, entropy);
printf("Entropy 1 = %.5lg, Entropy 2 = %.5lg\n", entropy[0], entropy[1]);
print_entropy(entropy);
}
if (PLOT_SPEEDS) draw_speed_plot(group_speeds, i);
if (PLOT_TRAJECTORIES) draw_trajectory_plot(group_speeds, i);
if (PRINT_OMEGA) print_omega(angular_speed);
else if (PRINT_PARTICLE_SPEEDS) print_particles_speeds(particle);
else if (PRINT_SEGMENTS_SPEEDS)
{
if (MOVE_BOUNDARY) print_segments_speeds(vxsegments, vysegments);
else print_segment_group_speeds(segment_group);
}
glutSwapBuffers();
if (MOVIE)
{
if (i >= 0)
{
if (TIME_LAPSE_FIRST)
{
if ((TIME_LAPSE)&&((i - 0)%TIME_LAPSE_FACTOR == 0)&&(!DOUBLE_MOVIE))
{
save_frame_lj();
}
save_frame_lj_counter(NSTEPS/TIME_LAPSE_FACTOR + MID_FRAMES + i - 0);
}
else
{
save_frame_lj();
if ((TIME_LAPSE)&&((i - 0)%TIME_LAPSE_FACTOR == 0)&&(!DOUBLE_MOVIE))
{
save_frame_lj_counter(NSTEPS + END_FRAMES + (i - 0)/TIME_LAPSE_FACTOR);
}
}
}
else printf("Initial phase time %i of %i\n", i, 0);
if ((i >= 0)&&(DOUBLE_MOVIE))
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT_B, beta, collisions, ncollisions);
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
if (PLOT_SPEEDS) draw_speed_plot(group_speeds, i);
if (PLOT_TRAJECTORIES) draw_trajectory_plot(group_speeds, i);
if (BOUNDARY_COND == BC_EHRENFEST) print_ehrenfest_parameters(particle, pleft, pright);
else if (PRINT_PARTICLE_NUMBER) print_particle_number(ncircles);
if (PRINT_OMEGA) print_omega(angular_speed);
else if (PRINT_PARTICLE_SPEEDS) print_particles_speeds(particle);
else if (PRINT_SEGMENTS_SPEEDS) print_segment_group_speeds(segment_group);
// print_segments_speeds(vxsegments, vysegments);
glutSwapBuffers();
save_frame_lj_counter(NSTEPS + MID_FRAMES + 1 + counter);
counter++;
}
/* it seems that saving too many files too fast can cause trouble with the file system */
/* so this is to make a pause from time to time - parameter PAUSE may need adjusting */
if (i % PAUSE == PAUSE - 1)
{
printf("Making a short pause\n");
sleep(PSLEEP);
s = system("mv lj*.tif tif_ljones/");
}
}
}
// if (SAVE_TIME_SERIES)
// {
// n_total_active = 0;
// for (j=0; j<ncircles; j++) if (particle[j].active) n_total_active++;
// fprintf(lj_final_position, "%i\n", n_total_active);
// for (j=0; j<ncircles; j++) if (particle[j].active)
// {
// fprintf(lj_final_position, "%i\n", j);
// fprintf(lj_final_position, "%.2f\n", particle[j].xc);
// fprintf(lj_final_position, "%.2f\n", particle[j].yc);
// }
// }
if (MOVIE)
{
if (DOUBLE_MOVIE)
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT, beta, collisions, ncollisions);
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
if (PLOT_SPEEDS) draw_speed_plot(group_speeds, i);
if (PLOT_TRAJECTORIES) draw_trajectory_plot(group_speeds, i);
if (BOUNDARY_COND == BC_EHRENFEST) print_ehrenfest_parameters(particle, pleft, pright);
else if (PRINT_PARTICLE_NUMBER) print_particle_number(ncircles);
if (PRINT_OMEGA) print_omega(angular_speed);
else if (PRINT_PARTICLE_SPEEDS) print_particles_speeds(particle);
else if (PRINT_SEGMENTS_SPEEDS) print_segment_group_speeds(segment_group);
// print_segments_speeds(vxsegments, vysegments);
glutSwapBuffers();
}
if (ADD_MESSAGE)
{
sprintf(message, "Happy New Year!");
write_text(-0.3, 0.75, message);
}
for (i=0; i<MID_FRAMES; i++) save_frame_lj();
if (DOUBLE_MOVIE)
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT_B, beta, collisions, ncollisions);
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
if (PLOT_SPEEDS) draw_speed_plot(group_speeds, i);
if (PLOT_TRAJECTORIES) draw_trajectory_plot(group_speeds, i);
if (BOUNDARY_COND == BC_EHRENFEST) print_ehrenfest_parameters(particle, pleft, pright);
else if (PRINT_PARTICLE_NUMBER) print_particle_number(ncircles);
if (PRINT_OMEGA) print_omega(angular_speed);
else if (PRINT_PARTICLE_SPEEDS) print_particles_speeds(particle);
else if (PRINT_SEGMENTS_SPEEDS) print_segment_group_speeds(segment_group);
// print_segments_speeds(vxsegments, vysegments);
glutSwapBuffers();
}
if ((TIME_LAPSE)&&(!DOUBLE_MOVIE))
{
for (i=0; i<END_FRAMES; i++)
save_frame_lj_counter(NSTEPS + MID_FRAMES + NSTEPS/TIME_LAPSE_FACTOR + i);
}
else for (i=0; i<END_FRAMES; i++) save_frame_lj_counter(NSTEPS + MID_FRAMES + 1 + counter + i);
s = system("mv lj*.tif tif_ljones/");
}
nactive = 0;
for (j=0; j<ncircles; j++) if (particle[j].active) nactive++;
printf("%i active particles\n", nactive);
free(particle);
if (ADD_FIXED_OBSTACLES) free(obstacle);
if (ADD_FIXED_SEGMENTS)
{
free(segment);
free(segment_group);
}
if (MOVE_SEGMENT_GROUPS) free(group_speeds);
if (TRACER_PARTICLE) free(trajectory);
if (PLOT_SPEEDS) free(obstacle_speeds);
free(hashgrid);
free(qx);
free(qy);
free(px);
free(py);
free(qangle);
free(pangle);
free(pressure);
if (REACTION_DIFFUSION) free(collisions);
fclose(lj_time_series);
fclose(lj_final_position);
free(active_particles);
}
void display(void)
{
time_t rawtime;
struct tm * timeinfo;
time(&rawtime);
timeinfo = localtime(&rawtime);
glPushMatrix();
blank();
glutSwapBuffers();
blank();
glutSwapBuffers();
animation();
sleep(SLEEP2);
glPopMatrix();
glutDestroyWindow(glutGetWindow());
printf("Start local time and date: %s", asctime(timeinfo));
time(&rawtime);
timeinfo = localtime(&rawtime);
printf("Current local time and date: %s", asctime(timeinfo));
}
int main(int argc, char** argv)
{
glutInit(&argc, argv);
glutInitDisplayMode(GLUT_RGB | GLUT_DOUBLE | GLUT_DEPTH);
glutInitWindowSize(WINWIDTH,WINHEIGHT);
glutCreateWindow("Particles with Lennard-Jones interaction in a planar domain");
init();
glutDisplayFunc(display);
glutMainLoop();
return 0;
}
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