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This commit is contained in:
Nils Berglund
2024-03-09 18:17:55 +01:00
committed by GitHub
parent 9ff0b44339
commit d5be739977
20 changed files with 5382 additions and 1060 deletions
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lennardjones.c
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@@ -36,8 +36,8 @@
#include <omp.h>
#include <time.h>
#define MOVIE 0 /* set to 1 to generate movie */
#define DOUBLE_MOVIE 1 /* set to 1 to produce movies for wave height and energy simultaneously */
#define MOVIE 0 /* set to 1 to generate movie */
#define DOUBLE_MOVIE 1 /* 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 1 /* some OS require one less buffer swap when recording images */
@@ -50,23 +50,32 @@
/* General geometrical parameters */
#define WINWIDTH 1600 /* window width */
#define WINHEIGHT 900 /* window height */
// #define WINWIDTH 1440 /* window width */
// #define WINHEIGHT 810 /* window height */
#define WINWIDTH 1760 /* window width */
#define WINHEIGHT 990 /* 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 2.0 /* x interval for initial condition */
#define INITYMIN -1.125
#define INITYMAX 1.125 /* y interval for initial condition */
#define INITXMIN -1.9
#define INITXMAX 2.1 /* x interval for initial condition */
#define INITYMIN -1.0
#define INITYMAX 1.0 /* y interval for initial condition */
#define ADDXMIN 1.9
#define ADDXMAX 2.0 /* x interval for adding particles */
#define ADDYMIN -0.9
#define ADDYMAX 0.9 /* y interval for adding particles */
#define THERMOXMIN -1.25
#define THERMOXMAX 1.25 /* x interval for initial condition */
#define THERMOYMIN 0.0
#define THERMOYMAX 0.75 /* y interval for initial condition */
#define ADDXMIN -1.95
#define ADDXMAX 1.95 /* x interval for adding particles */
#define ADDYMIN 1.4
#define ADDYMAX 3.7 /* y interval for adding particles */
#define ADDRMIN 4.75
#define ADDRMAX 6.0 /* r interval for adding particles */
#define BCXMIN -2.0
#define BCXMAX 2.0 /* x interval for boundary condition */
@@ -85,34 +94,37 @@
#define OBSTACLE_PATTERN 6 /* pattern of obstacles, see list in global_ljones.c */
#define ADD_FIXED_SEGMENTS 0 /* set to 1 to add fixed segments as obstacles */
#define SEGMENT_PATTERN 27 /* pattern of repelling segments, see list in global_ljones.c */
#define SEGMENT_PATTERN 29 /* pattern of repelling segments, see list in global_ljones.c */
#define ROCKET_SHAPE 3 /* shape of rocket combustion chamber, see list in global_ljones.c */
#define ROCKET_SHAPE_B 3 /* shape of second rocket */
#define NOZZLE_SHAPE 6 /* shape of nozzle, see list in global_ljones.c */
#define NOZZLE_SHAPE_B 6 /* shape of nozzle for second rocket, see list in global_ljones.c */
#define TWO_TYPES 1 /* set to 1 to have two types of particles */
#define TYPE_PROPORTION 1.0 /* proportion of particles of first type */
#define TYPE_PROPORTION 0.5 /* proportion of particles of first type */
#define TWOTYPE_CONFIG 0 /* choice of types, see TTC_ list in global_ljones.c */
#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 INTERACTION 12 /* particle interaction, see list in global_ljones.c */
#define INTERACTION_B 12 /* particle interaction for second type of particle, see list in global_ljones.c */
#define SPIN_INTER_FREQUENCY 4.0 /* angular frequency of spin-spin interaction */
#define SPIN_INTER_FREQUENCY_B 4.0 /* angular frequency of spin-spin interaction for second particle type */
#define MOL_ANGLE_FACTOR 4.0 /* rotation angle for P_MOL_ANGLE color scheme */
#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 2.8 /* minimal distance in Poisson disc process, controls density of particles */
#define PDISC_DISTANCE 9.0 /* 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 0.2 /* parameter controlling the dimensions of domain */
#define MU 0.01 /* parameter controlling radius of particles */
#define MU_B 0.012 /* parameter controlling radius of particles of second type */
#define LAMBDA 0.75 /* parameter controlling the dimensions of domain */
#define MU 0.009 /* parameter controlling radius of particles */
#define MU_B 0.009 /* parameter controlling radius of particles of second type */
#define NPOLY 40 /* number of sides of polygon */
#define APOLY 0.0 /* angle by which to turn polygon, in units of Pi/2 */
#define AWEDGE 0.5 /* opening angle of wedge, in units of Pi/2 */
@@ -121,14 +133,14 @@
#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 60 /* number of grid point for grid of disks */
#define NGRIDY 30 /* number of grid point for grid of disks */
#define NGRIDX 20 /* number of grid point for grid of disks */
#define NGRIDY 10 /* 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 NOBSX 30
#define NOBSY 20 /* obstacles for O_HEX obstacle pattern */
#define NOBSX 10
#define NOBSY 5 /* obstacles for O_HEX obstacle pattern */
#define NTREES 15 /* number of trees in S_TREES */
#define X_SHOOTER -0.2
@@ -138,11 +150,12 @@
/* Parameters for length and speed of simulation */
#define NSTEPS 2400 /* number of frames of movie */
#define NVID 30 /* number of iterations between images displayed on screen */
#define NSEG 25 /* number of segments of boundary of circles */
#define NSTEPS 1600 /* number of frames of movie */
// #define NSTEPS 7275 /* number of frames of movie */
#define NVID 65 /* number of iterations between images displayed on screen */
#define NSEG 25 /* number of segments of boundary of circles */
#define INITIAL_TIME 0 /* time after which to start saving frames */
#define OBSTACLE_INITIAL_TIME 150 /* time after which to start moving obstacle */
#define OBSTACLE_INITIAL_TIME 0 /* 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 2 /* width of container boundary */
@@ -152,7 +165,8 @@
#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 250 /* number of still frames at end of movie */
// #define END_FRAMES 250 /* number of still frames at end of movie */
#define END_FRAMES 100 /* number of still frames at end of movie */
/* Boundary conditions, see list in global_ljones.c */
@@ -160,14 +174,15 @@
/* Plot type, see list in global_ljones.c */
#define PLOT 5
#define PLOT_B 13 /* plot type for second movie */
#define PLOT 19
// #define PLOT_B 1 /* plot type for second movie */
#define PLOT_B 18 /* plot type for second movie */
/* Background color depending on particle properties */
#define COLOR_BACKGROUND 1 /* set to 1 to color background */
#define BG_COLOR 2 /* type of background coloring, see list in global_ljones.c */
#define BG_COLOR_B 0 /* type of background coloring, see list in global_ljones.c */
#define COLOR_BACKGROUND 0 /* set to 1 to color background */
#define BG_COLOR 0 /* type of background coloring, see list in global_ljones.c */
#define BG_COLOR_B 2 /* type of background coloring, see list in global_ljones.c */
#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 */
@@ -175,19 +190,21 @@
#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 */
#define N_PARTICLE_COLORS 200 /* number of colors for P_NUMBER color scheme */
#define INITIAL_POS_TYPE 0 /* type of initial position dependence */
#define INITIAL_POS_TYPE 0 /* type of initial position dependence */
#define ERATIO 0.995 /* ratio for time-averaging in P_EMEAN color scheme */
#define DRATIO 0.995 /* ratio for time-averaging in P_DIRECT_EMEAN color scheme */
/* Color schemes */
#define COLOR_PALETTE 10 /* Color palette, see list in global_ljones.c */
#define COLOR_PALETTE_EKIN 10 /* Color palette for kinetic energy */
#define COLOR_PALETTE_ANGLE 10 /* Color palette for angle representation */
#define COLOR_PALETTE_DIRECTION 17 /* Color palette for direction representation */
#define COLOR_PALETTE_INITIAL_POS 0 /* Color palette for initial position representation */
#define COLOR_PALETTE 10 /* Color palette, see list in global_ljones.c */
#define COLOR_PALETTE_EKIN 10 /* Color palette for kinetic energy */
#define COLOR_PALETTE_ANGLE 0 /* Color palette for angle representation */
#define COLOR_PALETTE_DIRECTION 0 /* Color palette for direction representation */
#define COLOR_PALETTE_INITIAL_POS 10 /* Color palette for initial position representation */
#define COLOR_PALETTE_DIFFNEIGH 10 /* Color palette for different neighbours representation */
#define COLOR_PALETTE_PRESSURE 11 /* Color palette for different neighbours representation */
#define COLOR_PALETTE_PRESSURE 11 /* Color palette for different neighbours representation */
#define COLOR_PALETTE_CHARGE 18 /* Color palette for charge representation */
#define COLOR_PALETTE_CLUSTER 0 /* Color palette for cluster representation */
#define BLACK 1 /* background */
@@ -222,27 +239,29 @@
#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 10000.0 /* energy of particle with hottest color */
#define HUE_TYPE0 60.0 /* hue of particles of type 0 */
// #define PARTICLE_EMAX 50000.0 /* energy of particle with hottest color */
#define PARTICLE_EMIN 10.0 /* energy of particle with coolest color */
#define PARTICLE_EMAX 50000.0 /* energy of particle with hottest color */
#define HUE_TYPE0 280.0 /* hue of particles of type 0 */
#define HUE_TYPE1 280.0 /* hue of particles of type 1 */
#define HUE_TYPE2 140.0 /* hue of particles of type 2 */
#define HUE_TYPE3 200.0 /* hue of particles of type 3 */
#define HUE_TYPE2 70.0 /* hue of particles of type 2 */
#define HUE_TYPE3 60.0 /* hue of particles of type 3 */
#define BG_FORCE_SLOPE 7.5e-8 /* contant in BG_FORCE backgound color scheme*/
#define RANDOM_RADIUS 0 /* set to 1 for random circle radius */
#define DT_PARTICLE 3.0e-6 /* time step for particle displacement */
#define KREPEL 50.0 /* constant in repelling force between particles */
#define KREPEL 150.0 /* constant in repelling force between particles */
#define EQUILIBRIUM_DIST 5.0 /* Lennard-Jones equilibrium distance */
#define EQUILIBRIUM_DIST_B 5.0 /* Lennard-Jones equilibrium distance for second type of particle */
#define REPEL_RADIUS 20.0 /* radius in which repelling force acts (in units of particle radius) */
#define DAMPING 3000.0 /* damping coefficient of particles */
#define REPEL_RADIUS 25.0 /* radius in which repelling force acts (in units of particle radius) */
#define DAMPING 20.0 /* damping coefficient of particles */
#define INITIAL_DAMPING 5000.0 /* damping coefficient of particles during initial phase */
#define DAMPING_ROT 100.0 /* dampint coefficient for rotation of particles */
#define PARTICLE_MASS 2.0 /* mass of particle of radius MU */
#define PARTICLE_MASS_B 1.0 /* mass of particle of radius MU */
#define PARTICLE_MASS 1.0 /* mass of particle of radius MU */
#define PARTICLE_MASS_B 2.0 /* mass of particle of radius MU_B */
#define PARTICLE_INERTIA_MOMENT 0.2 /* moment of inertia of particle */
#define PARTICLE_INERTIA_MOMENT_B 0.02 /* moment of inertia of second type of particle */
#define V_INITIAL -50.0 /* initial velocity range */
#define V_INITIAL 50.0 /* initial velocity range */
#define OMEGA_INITIAL 10.0 /* initial angular velocity range */
#define VICSEK_VMIN 1.0 /* minimal speed of particles in Vicsek model */
#define VICSEK_VMAX 40.0 /* minimal speed of particles in Vicsek model */
@@ -252,32 +271,33 @@
#define THERMOSTAT 1 /* 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 0.00004 /* initial inverse temperature */
#define MU_XI 0.01 /* friction constant in thermostat */
#define BETA 0.0005 /* initial inverse temperature */
#define MU_XI 0.005 /* friction constant in thermostat */
#define KSPRING_BOUNDARY 2.0e11 /* confining harmonic potential outside simulation region */
#define KSPRING_OBSTACLE 2.0e11 /* harmonic potential of obstacles */
#define NBH_DIST_FACTOR 3.2 /* radius in which to count neighbours */
#define NBH_DIST_FACTOR 5.0 /* radius in which to count neighbours */
#define GRAVITY 0.0 /* gravity acting on all particles */
#define GRAVITY_X 0.0 /* horizontal gravity acting on all particles */
#define CIRCULAR_GRAVITY 0 /* set to 1 to have gravity directed to center */
#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_SCHEDULE 1 /* type of gravity schedule, see list in global_ljones.c */
#define GRAVITY_FACTOR 10.0 /* 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 GRAVITY_RESTORE_TIME 500 /* time at end of simulation with gravity restored to initial value */
#define KSPRING_VICSEK 0.2 /* spring constant for I_VICSEK_SPEED interaction */
#define VICSEK_REPULSION 10.0 /* repulsion between particles in Vicsek model */
#define ADD_EFIELD 0 /* set to 1 to add an electric field */
#define EFIELD 200000.0 /* value of electric field */
#define EFIELD 50000.0 /* value of electric field */
#define ADD_BFIELD 0 /* set to 1 to add a magnetic field */
#define BFIELD 10000.0 /* value of magnetic field */
#define CHARGE 1.5 /* charge of particles of first type */
#define CHARGE_B -1.0 /* charge of particles of second type */
#define BFIELD 2.666666667 /* value of magnetic field */
#define CHARGE -0.0 /* charge of particles of first type */
#define CHARGE_B 0.0 /* charge of particles of second type */
#define INCREASE_E 0 /* set to 1 to increase electric field */
#define EFIELD_FACTOR 1000000.0 /* factor by which to increase electric field */
// #define EFIELD_FACTOR 2500000.0 /* factor by which to increase electric field */
#define EFIELD_FACTOR 5000000.0 /* factor by which to increase electric field */
#define INCREASE_B 0 /* set to 1 to increase magnetic field */
#define BFIELD_FACTOR 10000.0 /* factor by which to increase magnetic field */
#define BFIELD_FACTOR 20000.0 /* factor by which to increase magnetic field */
#define CHARGE_OBSTACLES 1 /* set to 1 for obstacles to be charged */
#define OBSTACLE_CHARGE 3.0 /* charge of obstacles */
#define KCOULOMB_OBSTACLE 1000.0 /* Coulomb force constant for charged obstacles */
@@ -292,23 +312,27 @@
#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 DRAW_MINUS 1 /* set to 1 to draw cross on particles of negative charge */
#define SPIN_RANGE 10.0 /* 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 1 /* set to 1 to increase BETA during simulation */
#define BETA_FACTOR 5.0 /* factor by which to change BETA during simulation */
#define N_TOSCILLATIONS 2.5 /* number of temperature oscillations in BETA schedule */
#define INCREASE_BETA 0 /* set to 1 to increase BETA during simulation */
#define BETA_SCHEDULE 0 /* type of temperature schedule, see TS_* in global_ljones */
// #define BETA_FACTOR 0.000001 /* factor by which to change BETA during simulation */
#define BETA_FACTOR 1000.0 /* factor by which to change BETA during simulation */
#define N_TOSCILLATIONS 1.0 /* number of temperature oscillations in BETA schedule */
#define NO_OSCILLATION 0 /* set to 1 to have exponential BETA change only */
#define MIDDLE_CONSTANT_PHASE 0 /* final phase in which temperature is constant */
#define FINAL_DECREASE_PHASE 0 /* 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 SMOOTH_CONTAINER_DECREASE 1 /* set to 1 to decrease size smoothly at each simulation step */
#define SYMMETRIC_DECREASE 0 /* set tp 1 to decrease container symmetrically */
#define COMPRESSION_RATIO 0.3 /* final size of container */
#define COMPRESSION_RATIO 0.25 /* 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 1200 /* time before end of sim at which to restore size */
#define RESTORE_TIME 800 /* 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 */
@@ -324,10 +348,12 @@
#define N_T_AVERAGE 1 /* 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 some particles to thermostat */
#define PARTIAL_THERMO_REGION 1 /* region for partial thermostat coupling (see list in global_ljones.c) */
#define PARTIAL_THERMO_REGION 9 /* 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 0.25 /* vertical size of partial thermostat coupling */
#define PARTIAL_THERMO_WIDTH 1.0 /* vertical size of partial thermostat coupling */
#define PARTIAL_THERMO_HEIGHT 0.0 /* vertical size of partial thermostat coupling */
#define PARTIAL_THERMO_RIN 0.5 /* initial radius of region without coupling */
#define PARTIAL_THERMO_RFIN 1.3 /* final radius of region without 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 */
@@ -337,11 +363,12 @@
#define NPART_BOTTOM 100 /* number of particles at the bottom */
#define ADD_PARTICLES 0 /* set to 1 to add particles */
#define ADD_REGION 0 /* shape of add regions, cf ADD_* in global_ljones */
#define ADD_TIME 0 /* time at which to add first particle */
#define ADD_PERIOD 4 /* time interval between adding further particles */
#define N_ADD_PARTICLES 3 /* number of particles to add */
#define ADD_PERIOD 5 /* time interval between adding further particles */
#define N_ADD_PARTICLES 5 /* number of particles to add */
#define FINAL_NOADD_PERIOD 0 /* 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 SAFETY_FACTOR 4.0 /* 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 */
@@ -368,7 +395,7 @@
#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 SHOW_SEGMENTS_PRESSURE 1 /* set to 1 to show (averaged) pressure acting on segments */
#define SHOW_SEGMENTS_PRESSURE 0 /* set to 1 to show (averaged) pressure acting on segments */
#define SEGMENT_PMAX 7.5e7 /* pressure of segment with hottest color */
#define P_AVRG_FACTOR 0.02 /* factor in computation of mean pressure */
@@ -390,24 +417,27 @@
#define POSITION_DEP_X -0.625 /* threshold value for position-dependent type */
#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 16 /* type of reaction, see list in global_ljones.c */
#define RD_TYPES 5 /* number of types in reaction-diffusion equation */
#define RD_INITIAL_COND 9 /* initial condition of particles */
#define REACTION_DIST 4.0 /* maximal distance for reaction to occur */
#define REACTION_PROB 1.0 /* probability controlling reaction term */
#define DISSOCIATION_PROB 0.002 /* probability controlling dissociation reaction */
#define REACTION_DIFFUSION 1 /* set to 1 to simulate a chemical reaction (particles may change type) */
#define RD_REACTION 23 /* type of reaction, see list in global_ljones.c */
#define RD_TYPES 2 /* number of types in reaction-diffusion equation */
#define RD_INITIAL_COND 99 /* initial condition of particles */
#define REACTION_DIST 3.5 /* maximal distance for reaction to occur */
#define REACTION_PROB 1.0 /* probability controlling reaction term */
#define DISSOCIATION_PROB 0.0001 /* probability controlling dissociation reaction */
#define CENTER_COLLIDED_PARTICLES 0 /* set to 1 to recenter particles upon reaction (may interfere with thermostat) */
#define EXOTHERMIC 1 /* set to 1 to make reaction exo/endothermic */
#define DELTA_EKIN 2000.0 /* change of kinetic energy in reaction */
#define COLLISION_TIME 15 /* time during which collisions are shown */
#define EXOTHERMIC 0 /* set to 1 to make reaction exo/endothermic */
#define DELTA_EKIN 2000.0 /* change of kinetic energy in reaction */
#define COLLISION_TIME 25 /* time during which collisions are shown */
#define DELTAVMAX 150.0 /* maximal deltav allowed for pairing molecules */
#define AGREGMAX 6 /* maximal number of partners for CHEM_AGGREGATION reaction */
#define AGREG_DECOUPLE 10 /* minimal number of partners to decouple from thermostat */
#define CHANGE_RADIUS 0 /* set to 1 to change particle radius during simulation */
#define MU_RATIO 0.666666667 /* ratio by which to increase radius */
#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 0.5 /* expected final number of particles over initial number */
#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) */
@@ -419,7 +449,7 @@
#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_WIDTH 0.025 /* 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 */
@@ -428,10 +458,29 @@
#define PROP_MAX 0.9 /* max proportion of type 1 particles */
#define PAIR_PARTICLES 1 /* set to 1 to form particles pairs */
#define KSPRING_PAIRS 1.0e10 /* spring constant for pair interaction */
#define NPARTNERS 2 /* number of partners of particles */
#define PAIRING_TYPE 1 /* type of pairing, see POLY_ in global_ljones.c */
#define PARTNER_ANGLE 104.45 /* angle (in degrees) between anions for POLY_WATER case */
#define RANDOMIZE_ANGLE 1 /* set to 1 for random orientation */
#define DEACIVATE_CLOSE_PAIRS 0 /* set to 1 to test for closeness to other particles */
#define PAIR_SAFETY_FACTOR 1.2 /* distance to deactivate divided by sum of radii */
#define KSPRING_PAIRS 2.0e10 /* spring constant for pair interaction */
#define NPARTNERS 16 /* number of partners of particles */
#define NARMS 4 /* number of "arms" for certain paring types */
#define PAIRING_TYPE 61 /* type of pairing, see POLY_ in global_ljones.c */
#define PARTNER_ANGLE 104.45 /* angle (in degrees) between ions for POLY_WATER case */
#define PAIR_DRATIO 1.0 /* ratio between equilibrium distance and radius (default: 1.0) */
#define MU_C 0.014 /* radius of partner particle */
#define PARTICLE_MASS_C 2.0 /* mass or partner particle */
#define CHARGE_C 1.5 /* charge of partner particle */
#define CLUSTER_COLOR_FACTOR 400 /* factor for initialization of cluster colors */
#define ALTERNATE_POLY_CHARGE 1 /* set to 1 for alternating charges in molecule */
#define PAIR_TYPEB_PARTICLES 1 /* set to 1 to pair particle of type 1 */
#define NPARTNERS_B 16 /* number of partners of particles */
#define NARMS_B 4 /* number of "arms" for certain paring types */
#define PAIRING_TYPE_B 61 /* type of pairing, see POLY_ in global_ljones.c */
#define MU_D 0.014 /* radius of partner particle */
#define PARTICLE_MASS_D 2.0 /* mass or partner particle */
#define CHARGE_D -1.5 /* charge of partner particle */
// #define PARTNER_ANGLE_B 104.45 /* angle (in degrees) between anions for POLY_WATER case */
#define NXMAZE 12 /* width of maze */
#define NYMAZE 12 /* height of maze */
@@ -445,8 +494,8 @@
#define FLOOR_OMEGA 0 /* set to 1 to limit particle momentum to PMAX */
#define PMAX 1000.0 /* maximal force */
#define HASHX 100 /* size of hashgrid in x direction */
#define HASHY 50 /* size of hashgrid in y direction */
#define HASHX 60 /* size of hashgrid in x direction */
#define HASHY 30 /* 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 */
@@ -460,8 +509,10 @@
#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))
#define COMPUTE_EMEAN ((PLOT == P_EMEAN)||(PLOT_B == P_EMEAN)||(PLOT == P_DIRECT_EMEAN)||(PLOT_B == P_DIRECT_EMEAN))
#define COMPUTE_EMEAN ((PLOT == P_EMEAN)||(PLOT_B == P_EMEAN)||(PLOT == P_LOG_EMEAN)||(PLOT_B == P_LOG_EMEAN)||(PLOT == P_DIRECT_EMEAN)||(PLOT_B == P_DIRECT_EMEAN))
#define COMPUTE_DIRMEAN ((PLOT == P_DIRECT_EMEAN)||(PLOT_B == P_DIRECT_EMEAN))
#define COUNT_PARTNER_TYPE ((RD_REACTION == CHEM_H2O_H_OH)||(RD_REACTION == CHEM_2H2O_H3O_OH))
#define PAIR_FORCE ((PAIR_PARTICLES)||((REACTION_DIFFUSION)&&(RD_REACTION == CHEM_AGGREGATION)))
double xshift = 0.0; /* x shift of shown window */
double xspeed = 0.0; /* x speed of obstacle */
@@ -519,10 +570,11 @@ double efield_schedule(int i)
if (first)
{
efactor = EFIELD_FACTOR/(double)(INITIAL_TIME + NSTEPS);
efactor = EFIELD_FACTOR/(double)(NSTEPS);
first = 0;
}
efield = EFIELD*(double)i*efactor;
if (i < INITIAL_TIME) efield = EFIELD;
else efield = EFIELD*(double)(i-INITIAL_TIME)*efactor;
printf("E = %.3lg\n", efield);
return(efield);
}
@@ -536,10 +588,11 @@ double bfield_schedule(int i)
if (first)
{
bfactor = BFIELD_FACTOR/(double)(INITIAL_TIME + NSTEPS);
bfactor = BFIELD_FACTOR/(double)(NSTEPS);
first = 0;
}
bfield = BFIELD*(double)i*bfactor;
if (i < INITIAL_TIME) bfield = BFIELD;
else bfield = BFIELD*(double)(i-INITIAL_TIME)*bfactor;
printf("B = %.3lg\n", bfield);
return(bfield);
}
@@ -547,9 +600,9 @@ double bfield_schedule(int i)
double temperature_schedule(int i)
{
static double bexponent, omega, bexp2;
static double bexponent, omega, bexp2, factor2, logf, ac, bc;
static int first = 1, t1, t2, t3;
double beta;
double beta, t;
if (first)
{
@@ -558,16 +611,103 @@ double temperature_schedule(int i)
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);
logf = log(BETA_FACTOR);
switch (BETA_SCHEDULE)
{
case (TS_EXPONENTIAL):
{
factor2 = BETA_FACTOR;
break;
}
case (TS_CYCLING):
{
factor2 = BETA_FACTOR*2.0/(1.0 + cos(N_TOSCILLATIONS*DPI));
break;
}
case (TS_PERIODIC):
{
factor2 = exp(logf*sin(N_TOSCILLATIONS*DPI));
break;
}
case (TS_LINEAR):
{
factor2 = BETA_FACTOR;
break;
}
case (TS_COSINE):
{
factor2 = BETA_FACTOR;
ac = 2.0*BETA*BETA_FACTOR/(1.0 + BETA_FACTOR);
bc = (BETA_FACTOR - 1.0)/(1.0 + BETA_FACTOR);
break;
}
case (TS_EXPCOS):
{
factor2 = BETA_FACTOR;
bc = -0.5*log(BETA_FACTOR);
break;
}
case (TS_ASYM_EXPCOS):
{
factor2 = BETA_FACTOR;
bc = -0.5*log(BETA_FACTOR);
break;
}
}
bexp2 = -log(factor2)/(double)(FINAL_DECREASE_PHASE);
first = 0;
// printf("t1 = %i, factor2 = %.3lg\n", t1, factor2);
}
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)));
switch (BETA_SCHEDULE)
{
case (TS_EXPONENTIAL):
{
beta = BETA*exp(bexponent*(double)(i - INITIAL_TIME));
break;
}
case (TS_CYCLING):
{
beta = BETA*exp(bexponent*(double)(i - INITIAL_TIME));
beta = beta*2.0/(1.0 + cos(omega*(double)(i - INITIAL_TIME)));
break;
}
case (TS_PERIODIC):
{
beta = BETA*exp(logf*sin(omega*(double)(i - INITIAL_TIME)));
break;
}
case (TS_LINEAR):
{
beta = BETA/(1.0 + (1.0/BETA_FACTOR - 1.0)*(double)(i - INITIAL_TIME)/(double)(t1));
// printf("i = %i, beta = %.3lg\n", i, beta);
break;
}
case (TS_COSINE):
{
beta = ac/(1.0 + bc*cos(omega*(double)(i - INITIAL_TIME)));
printf("i = %i, beta = %.3lg\n", i, beta);
break;
}
case (TS_EXPCOS):
{
beta = BETA*exp(bc*(-1.0 + cos(omega*(double)(i - INITIAL_TIME))));
// printf("i = %i, beta = %.3lg\n", i, beta);
break;
}
case (TS_ASYM_EXPCOS):
{
t = (double)(i - INITIAL_TIME)/(double)(t1);
beta = BETA*exp(bc*(-1.0 + cos(N_TOSCILLATIONS*DPI*(t - 0.5*t*(1.0-t)))));
break;
}
}
}
else if (i < INITIAL_TIME + t2) beta = BETA*BETA_FACTOR;
else if (i < INITIAL_TIME + t2) beta = BETA*factor2;
else if (i < INITIAL_TIME + t3)
{
beta = BETA*exp(bexp2*(double)(i - INITIAL_TIME - t3));
@@ -584,6 +724,18 @@ double container_size_schedule(int i)
return(INITXMIN + (1.0-COMPRESSION_RATIO)*(INITXMAX-INITXMIN)*(double)(i-INITIAL_TIME)/(double)(NSTEPS-RESTORE_TIME));
}
double container_size_schedule_smooth(int i, int j)
{
double t;
if ((i < INITIAL_TIME)||(i > INITIAL_TIME + NSTEPS - RESTORE_TIME)) return(INITXMIN);
else
{
t = (double)(i-INITIAL_TIME) + (double)j/(double)NVID;
return(INITXMIN + (1.0-COMPRESSION_RATIO)*(INITXMAX-INITXMIN)*t/(double)(NSTEPS-RESTORE_TIME));
}
}
double obstacle_schedule_old(int i)
{
double time;
@@ -1213,7 +1365,7 @@ void evolve_segment_groups(t_segment segment[NMAXSEGMENTS], int time, t_group_se
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, pos[2], prop, vx, xi = 0.0, torque, torque_ij, pleft = 0.0, pright = 0.0, entropy[2], speed_ratio, ymin, ymax, delta_energy, speed, ratio = 1.0, ratioc, cum_etot = 0.0, emean = 0.0, radius_ratio, t;
a, b, length, fx, fy, force[2], totalenergy = 0.0, pos[2], prop, vx, xi = 0.0, torque, torque_ij, pleft = 0.0, pright = 0.0, entropy[2], speed_ratio, xmin, xmax, ymin, ymax, delta_energy, speed, ratio = 1.0, ratioc, cum_etot = 0.0, emean = 0.0, radius_ratio, t;
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, nadd_particle = 0, nmove = 0, nsuccess = 0,
@@ -1340,6 +1492,8 @@ void animation()
if (INCREASE_BETA) params.beta = temperature_schedule(i);
if (INCREASE_E) params.efield = efield_schedule(i);
if (INCREASE_B) params.bfield = bfield_schedule(i);
if ((PARTIAL_THERMO_COUPLING)&&(PARTIAL_THERMO_REGION == TH_RING_EXPAND))
params.thermo_radius = PARTIAL_THERMO_RIN + (double)i/(double)NSTEPS*(PARTIAL_THERMO_RFIN - PARTIAL_THERMO_RIN);
if (DECREASE_CONTAINER_SIZE)
{
params.xmincontainer = container_size_schedule(i);
@@ -1361,15 +1515,31 @@ void animation()
if ((i <= INITIAL_TIME-1)&&(i%10 == 0)&&((PLOT == P_INITIAL_POS)||(PLOT_B == P_INITIAL_POS)))
{
printf("Recoloring particles\n");
xmin = particle[0].xc;
xmax = particle[0].xc;
ymin = particle[0].yc;
ymax = particle[0].yc;
for (j=1; j<ncircles; j++) if (particle[j].active)
{
if (particle[j].xc < xmin) xmin = particle[j].xc;
if (particle[j].xc > xmax) xmax = particle[j].xc;
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);
switch (INITIAL_POS_TYPE) {
case (IP_X):
{
particle[j].color_hue = 360.0*(particle[j].xc - xmin)/(xmax - xmin);
break;
}
case (IP_Y):
{
particle[j].color_hue = 360.0*(particle[j].yc - ymin)/(ymax - ymin);
break;
}
}
// particle[j].color_hue = 360.0*(particle[j].yc - ymin)/(ymax - ymin);
}
blank();
@@ -1394,6 +1564,12 @@ void animation()
params.omega = angular_speed;
params.angle = rotation_schedule_smooth(i,n);
}
if ((DECREASE_CONTAINER_SIZE)&&(SMOOTH_CONTAINER_DECREASE))
{
params.xmincontainer = container_size_schedule_smooth(i, n);
if (SYMMETRIC_DECREASE) params.xmaxcontainer = -container_size_schedule_smooth(i, n);
}
if (INCREASE_GRAVITY) params.gravity = gravity_schedule(i,n);
if ((BOUNDARY_COND == BC_RECTANGLE_WALL)&&(i < INITIAL_TIME + WALL_TIME)) wall = 1;
@@ -1444,7 +1620,15 @@ void animation()
}
/* add gravity */
if (INCREASE_GRAVITY) particle[j].fy -= params.gravity/particle[j].mass_inv;
if (INCREASE_GRAVITY)
{
if (CIRCULAR_GRAVITY)
{
particle[j].fx -= params.gravity*particle[j].xc/particle[j].mass_inv;
particle[j].fy -= params.gravity*particle[j].yc/particle[j].mass_inv;
}
else particle[j].fy -= params.gravity/particle[j].mass_inv;
}
else if (CIRCULAR_GRAVITY)
{
particle[j].fx -= GRAVITY*particle[j].xc/particle[j].mass_inv;
@@ -1541,7 +1725,7 @@ void animation()
// if ((PARTIAL_THERMO_COUPLING))
if ((PARTIAL_THERMO_COUPLING)&&(i>N_T_AVERAGE))
{
nthermo = partial_thermostat_coupling(particle, xshift + PARTIAL_THERMO_SHIFT, segment);
nthermo = partial_thermostat_coupling(particle, xshift + PARTIAL_THERMO_SHIFT, segment, params);
printf("%i particles coupled to thermostat out of %i active\n", nthermo, params.nactive);
params.mean_energy = compute_mean_energy(particle);
}
@@ -1643,14 +1827,14 @@ void animation()
}
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT, params.beta, collisions, ncollisions, BG_COLOR, hashgrid);
draw_particles(particle, PLOT, params.beta, collisions, ncollisions, BG_COLOR, hashgrid, params);
draw_container(params.xmincontainer, params.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);
nadd_particle = add_particles(particle, px, py, nadd_particle, params);
// params.nactive = nadd_particle;
params.nactive = 0;
for (j=0; j<ncircles; j++) if (particle[j].active) params.nactive++;
@@ -1670,17 +1854,7 @@ void animation()
if (PRINT_SEGMENTS_FORCE) compute_segments_force(&params, segment);
update_hashgrid(particle, hashgrid, 1);
if (PRINT_PARAMETERS) print_parameters(params, PRINT_LEFT, pressure, 1);
if ((BOUNDARY_COND == BC_EHRENFEST)||(BOUNDARY_COND == BC_RECTANGLE_WALL))
print_ehrenfest_parameters(particle, pleft, pright);
else if (PRINT_PARTICLE_NUMBER)
{
if (REACTION_DIFFUSION)
print_particle_types_number(particle, RD_TYPES);
else print_particle_number(ncircles);
}
if ((i > INITIAL_TIME + WALL_TIME)&&(PRINT_ENTROPY))
{
compute_entropy(particle, entropy);
@@ -1688,20 +1862,19 @@ void animation()
print_entropy(entropy);
}
if (PLOT_SPEEDS) draw_speed_plot(group_speeds, i);
if (PLOT_TRAJECTORIES) draw_trajectory_plot(group_speeds, i);
else if (PRINT_PARTICLE_SPEEDS) print_particles_speeds(particle);
else if (PRINT_SEGMENTS_SPEEDS)
/* these should be moved to draw_frame */
if (PRINT_SEGMENTS_SPEEDS)
{
if (MOVE_BOUNDARY) print_segments_speeds(vxsegments, vysegments);
else print_segment_group_speeds(segment_group);
}
if ((i > INITIAL_TIME)&&(PLOT_PARTICLE_NUMBER))
{
count_particle_number(particle, particle_numbers, i - INITIAL_TIME);
draw_particle_nb_plot(particle_numbers, i - INITIAL_TIME);
}
draw_frame(i, PLOT, BG_COLOR, ncollisions, traj_position, traj_length,
wall, pressure, pleft, pright, particle_numbers, 1, params, particle,
collisions, hashgrid, trajectory, obstacle, segment, group_speeds, segment_group);
if (!((NO_EXTRA_BUFFER_SWAP)&&(MOVIE))) glutSwapBuffers();
@@ -1731,22 +1904,9 @@ void animation()
if ((i >= INITIAL_TIME)&&(DOUBLE_MOVIE))
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT_B, params.beta, collisions, ncollisions, BG_COLOR_B, hashgrid);
draw_container(params.xmincontainer, params.xmaxcontainer, obstacle, segment, wall);
if (PRINT_PARAMETERS) print_parameters(params, PRINT_LEFT, pressure, 0);
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)
{
if (REACTION_DIFFUSION)
print_particle_types_number(particle, RD_TYPES);
else print_particle_number(ncircles);
}
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);
draw_frame(i, PLOT_B, BG_COLOR_B, ncollisions, traj_position, traj_length,
wall, pressure, pleft, pright, particle_numbers, 0, params, particle,
collisions, hashgrid, trajectory, obstacle, segment, group_speeds, segment_group);
glutSwapBuffers();
save_frame_lj_counter(NSTEPS + MID_FRAMES + 1 + counter);
counter++;
@@ -1783,23 +1943,9 @@ void animation()
if (DOUBLE_MOVIE)
{
blank();
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT, params.beta, collisions, ncollisions, BG_COLOR, hashgrid);
draw_container(params.xmincontainer, params.xmaxcontainer, obstacle, segment, wall);
if (PRINT_PARAMETERS) print_parameters(params, PRINT_LEFT, pressure, 1);
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)
{
if (REACTION_DIFFUSION)
print_particle_types_number(particle, RD_TYPES);
else print_particle_number(ncircles);
}
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();
draw_frame(NSTEPS, PLOT, BG_COLOR, ncollisions, traj_position, traj_length,
wall, pressure, pleft, pright, particle_numbers, 0, params, particle,
collisions, hashgrid, trajectory, obstacle, segment, group_speeds, segment_group);
}
for (i=0; i<MID_FRAMES; i++)
{
@@ -1809,22 +1955,9 @@ void animation()
glutSwapBuffers();
if (DOUBLE_MOVIE)
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT_B, params.beta, collisions, ncollisions, BG_COLOR_B, hashgrid);
draw_container(params.xmincontainer, params.xmaxcontainer, obstacle, segment, wall);
if (PRINT_PARAMETERS) print_parameters(params, PRINT_LEFT, pressure, 0);
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)
{
if (REACTION_DIFFUSION)
print_particle_types_number(particle, RD_TYPES);
else print_particle_number(ncircles);
}
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);
draw_frame(NSTEPS, PLOT_B, BG_COLOR_B, ncollisions, traj_position, traj_length,
wall, pressure, pleft, pright, particle_numbers, 0, params, particle,
collisions, hashgrid, trajectory, obstacle, segment, group_speeds, segment_group);
if (!((NO_EXTRA_BUFFER_SWAP)&&(MOVIE))) glutSwapBuffers();
}
if ((TIME_LAPSE)&&(!DOUBLE_MOVIE))