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Nils Berglund
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246
lennardjones.c
246
lennardjones.c
@@ -36,15 +36,15 @@
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#include <omp.h>
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#include <time.h>
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#define MOVIE 0 /* set to 1 to generate movie */
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#define DOUBLE_MOVIE 1 /* set to 1 to produce movies for wave height and energy simultaneously */
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#define MOVIE 0 /* set to 1 to generate movie */
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#define DOUBLE_MOVIE 1 /* set to 1 to produce movies for wave height and energy simultaneously */
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#define SAVE_MEMORY 1 /* set to 1 to save memory while saving frames */
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#define NO_EXTRA_BUFFER_SWAP 1 /* some OS require one less buffer swap when recording images */
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#define TIME_LAPSE 0 /* set to 1 to add a time-lapse movie at the end */
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/* so far incompatible with double movie */
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#define TIME_LAPSE_FACTOR 3 /* factor of time-lapse movie */
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#define TIME_LAPSE_FIRST 0 /* set to 1 to show time-lapse version first */
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#define TIME_LAPSE_FIRST 1 /* set to 1 to show time-lapse version first */
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#define SAVE_TIME_SERIES 0 /* set to 1 to save time series of particle positions */
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@@ -58,10 +58,18 @@
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#define YMIN -1.125
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#define YMAX 1.125 /* y interval for 9/16 aspect ratio */
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#define INITXMIN -1.97
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#define INITXMAX 1.97 /* x interval for initial condition */
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#define INITXMIN -2.0
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#define INITXMAX 2.0 /* x interval for initial condition */
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#define INITYMIN -1.1
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#define INITYMAX 1.1 /* y interval for initial condition */
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// #define INITYMAX 7.0 /* y interval for initial condition */
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// #define INITYMAX 9.0 /* y interval for initial condition */
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#define ADDXMIN -1.97
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#define ADDXMAX -0.8 /* x interval for adding particles */
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#define ADDYMIN -1.125
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#define ADDYMAX 1.125 /* y interval for adding particles */
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#define BCXMIN -2.0
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#define BCXMAX 2.0 /* x interval for boundary condition */
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@@ -71,39 +79,42 @@
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#define OBSXMIN -2.0
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#define OBSXMAX 2.0 /* x interval for motion of obstacle */
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#define CIRCLE_PATTERN 8 /* pattern of circles, see list in global_ljones.c */
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#define CIRCLE_PATTERN 1 /* pattern of circles, see list in global_ljones.c */
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#define ADD_FIXED_OBSTACLES 0 /* set to 1 do add fixed circular obstacles */
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#define OBSTACLE_PATTERN 181 /* pattern of obstacles, see list in global_ljones.c */
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#define ADD_INITIAL_PARTICLES 0 /* set to 1 to add a second type of particles */
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#define CIRCLE_PATTERN_B 1 /* pattern of circles for additional particles */
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#define ADD_FIXED_OBSTACLES 1 /* set to 1 do add fixed circular obstacles */
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#define OBSTACLE_PATTERN 4 /* pattern of obstacles, see list in global_ljones.c */
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#define ADD_FIXED_SEGMENTS 0 /* set to 1 to add fixed segments as obstacles */
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#define SEGMENT_PATTERN 181 /* pattern of repelling segments, see list in global_ljones.c */
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#define ROCKET_SHAPE 2 /* shape of rocket combustion chamber, see list in global_ljones.c */
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#define ROCKET_SHAPE_B 2 /* shape of second rocket */
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#define NOZZLE_SHAPE 2 /* shape of nozzle, see list in global_ljones.c */
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#define NOZZLE_SHAPE_B 4 /* shape of nozzle for second rocket, see list in global_ljones.c */
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#define SEGMENT_PATTERN 151 /* pattern of repelling segments, see list in global_ljones.c */
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#define ROCKET_SHAPE 3 /* shape of rocket combustion chamber, see list in global_ljones.c */
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#define ROCKET_SHAPE_B 3 /* shape of second rocket */
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#define NOZZLE_SHAPE 6 /* shape of nozzle, see list in global_ljones.c */
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#define NOZZLE_SHAPE_B 6 /* shape of nozzle for second rocket, see list in global_ljones.c */
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#define TWO_TYPES 0 /* set to 1 to have two types of particles */
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#define TYPE_PROPORTION 0.3 /* proportion of particles of first type */
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#define TYPE_PROPORTION 0.5 /* proportion of particles of first type */
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#define SYMMETRIZE_FORCE 1 /* set to 1 to symmetrize two-particle interaction, only needed if particles are not all the same */
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#define CENTER_PX 0 /* set to 1 to center horizontal momentum */
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#define CENTER_PY 0 /* set to 1 to center vertical momentum */
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#define CENTER_PANGLE 0 /* set to 1 to center angular momentum */
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#define INTERACTION 10 /* particle interaction, see list in global_ljones.c */
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#define INTERACTION_B 1 /* particle interaction for second type of particle, see list in global_ljones.c */
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#define SPIN_INTER_FREQUENCY 1.0 /* angular frequency of spin-spin interaction */
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#define SPIN_INTER_FREQUENCY_B 2.0 /* angular frequency of spin-spin interaction for second particle type */
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#define INTERACTION 2 /* particle interaction, see list in global_ljones.c */
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#define INTERACTION_B 2 /* particle interaction for second type of particle, see list in global_ljones.c */
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#define SPIN_INTER_FREQUENCY 4.0 /* angular frequency of spin-spin interaction */
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#define SPIN_INTER_FREQUENCY_B 4.0 /* angular frequency of spin-spin interaction for second particle type */
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#define P_PERCOL 0.25 /* probability of having a circle in C_RAND_PERCOL arrangement */
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#define NPOISSON 100 /* number of points for Poisson C_RAND_POISSON arrangement */
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#define PDISC_DISTANCE 1.3 /* minimal distance in Poisson disc process, controls density of particles */
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#define PDISC_DISTANCE 2.8 /* minimal distance in Poisson disc process, controls density of particles */
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#define PDISC_CANDIDATES 100 /* number of candidates in construction of Poisson disc process */
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#define RANDOM_POLY_ANGLE 0 /* set to 1 to randomize angle of polygons */
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#define LAMBDA 0.5 /* parameter controlling the dimensions of domain */
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#define MU 0.035 /* parameter controlling radius of particles */
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#define MU_B 0.012 /* parameter controlling radius of particles of second type */
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#define LAMBDA 0.8 /* parameter controlling the dimensions of domain */
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#define MU 0.015 /* parameter controlling radius of particles */
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#define MU_B 0.015 /* parameter controlling radius of particles of second type */
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#define NPOLY 25 /* number of sides of polygon */
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#define APOLY 0.0 /* angle by which to turn polygon, in units of Pi/2 */
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#define MDEPTH 4 /* depth of computation of Menger gasket */
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@@ -111,8 +122,8 @@
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#define MANDELLEVEL 1000 /* iteration level for Mandelbrot set */
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#define MANDELLIMIT 10.0 /* limit value for approximation of Mandelbrot set */
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#define FOCI 1 /* set to 1 to draw focal points of ellipse */
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#define NGRIDX 120 /* number of grid point for grid of disks */
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#define NGRIDY 51 /* number of grid point for grid of disks */
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#define NGRIDX 140 /* number of grid point for grid of disks */
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#define NGRIDY 70 /* number of grid point for grid of disks */
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#define EHRENFEST_RADIUS 0.9 /* radius of container for Ehrenfest urn configuration */
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#define EHRENFEST_WIDTH 0.035 /* width of tube for Ehrenfest urn configuration */
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#define TWO_CIRCLES_RADIUS_RATIO 0.8 /* ratio of radii for S_TWO_CIRCLES_EXT segment configuration */
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@@ -125,11 +136,12 @@
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/* Parameters for length and speed of simulation */
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#define NSTEPS 3800 /* number of frames of movie */
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#define NVID 50 /* number of iterations between images displayed on screen */
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#define NSTEPS 2800 /* number of frames of movie */
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// #define NSTEPS 200 /* number of frames of movie */
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#define NVID 60 /* number of iterations between images displayed on screen */
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#define NSEG 250 /* number of segments of boundary */
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#define INITIAL_TIME 10 /* time after which to start saving frames */
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#define OBSTACLE_INITIAL_TIME 200 /* time after which to start moving obstacle */
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#define INITIAL_TIME 0 /* time after which to start saving frames */
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#define OBSTACLE_INITIAL_TIME 150 /* time after which to start moving obstacle */
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#define BOUNDARY_WIDTH 1 /* width of particle boundary */
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#define LINK_WIDTH 2 /* width of links between particles */
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#define CONTAINER_WIDTH 4 /* width of container boundary */
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@@ -148,17 +160,20 @@
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/* Plot type, see list in global_ljones.c */
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#define PLOT 4
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#define PLOT_B 6 /* plot type for second movie */
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#define PLOT_B 11 /* plot type for second movie */
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#define DRAW_BONDS 1 /* set to 1 to draw bonds between neighbours */
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#define COLOR_BONDS 1 /* set to 1 to color bonds according to length */
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#define FILL_TRIANGLES 0 /* set to 1 to fill triangles between neighbours */
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#define ALTITUDE_LINES 0 /* set to 1 to add horizontal lines to show altitude */
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#define COLOR_SEG_GROUPS 0 /* set to 1 to collor segment groups differently */
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#define COLOR_SEG_GROUPS 1 /* set to 1 to collor segment groups differently */
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#define N_PARTICLE_COLORS 200 /* number of colors for P_NUMBER color scheme */
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/* Color schemes */
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#define COLOR_PALETTE 0 /* Color palette, see list in global_ljones.c */
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#define COLOR_PALETTE 18 /* Color palette, see list in global_ljones.c */
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#define COLOR_PALETTE_ANGLE 10 /* Color palette for angle representation */
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#define COLOR_PALETTE_INITIAL_POS 10 /* Color palette for initial position representation */
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#define BLACK 1 /* background */
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@@ -175,7 +190,7 @@
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#define HUEMEAN 220.0 /* mean value of hue for color scheme C_HUE */
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#define HUEAMP -50.0 /* amplitude of variation of hue for color scheme C_HUE */
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#define PRINT_PARAMETERS 1 /* set to 1 to print certain parameters */
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#define PRINT_PARAMETERS 0 /* set to 1 to print certain parameters */
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#define PRINT_TEMPERATURE 0 /* set to 1 to print current temperature */
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/* particle properties */
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@@ -184,54 +199,57 @@
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#define ENERGY_HUE_MAX 50.0 /* color of saturated particle */
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#define PARTICLE_HUE_MIN 359.0 /* color of original particle */
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#define PARTICLE_HUE_MAX 0.0 /* color of saturated particle */
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#define PARTICLE_EMAX 1.2e3 /* energy of particle with hottest color */
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#define HUE_TYPE0 260.0 /* hue of particles of type 0 */
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#define HUE_TYPE1 210.0 /* hue of particles of type 1 */
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#define HUE_TYPE2 160.0 /* hue of particles of type 2 */
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#define HUE_TYPE3 290.0 /* hue of particles of type 3 */
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#define PARTICLE_EMAX 6000.0 /* energy of particle with hottest color */
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#define HUE_TYPE0 60.0 /* hue of particles of type 0 */
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#define HUE_TYPE1 280.0 /* hue of particles of type 1 */
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#define HUE_TYPE2 140.0 /* hue of particles of type 2 */
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#define HUE_TYPE3 200.0 /* hue of particles of type 3 */
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#define RANDOM_RADIUS 0 /* set to 1 for random circle radius */
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#define DT_PARTICLE 3.0e-6 /* time step for particle displacement */
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#define KREPEL 0.1 /* constant in repelling force between particles */
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#define EQUILIBRIUM_DIST 2.0 /* Lennard-Jones equilibrium distance */
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#define EQUILIBRIUM_DIST_B 2.0 /* Lennard-Jones equilibrium distance for second type of particle */
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#define KREPEL 1.0 /* constant in repelling force between particles */
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#define EQUILIBRIUM_DIST 5.0 /* Lennard-Jones equilibrium distance */
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#define EQUILIBRIUM_DIST_B 5.0 /* Lennard-Jones equilibrium distance for second type of particle */
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#define REPEL_RADIUS 15.0 /* radius in which repelling force acts (in units of particle radius) */
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#define DAMPING 0.0 /* damping coefficient of particles */
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#define INITIAL_DAMPING 50.0 /* damping coefficient of particles during initial phase */
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#define DAMPING 100.0 /* damping coefficient of particles */
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#define OMEGA_INITIAL 10.0 /* initial angular velocity range */
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#define INITIAL_DAMPING 5.0 /* damping coefficient of particles during initial phase */
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#define DAMPING_ROT 100.0 /* dampint coefficient for rotation of particles */
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#define PARTICLE_MASS 0.25 /* mass of particle of radius MU */
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#define PARTICLE_MASS_B 0.5 /* mass of particle of radius MU */
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#define PARTICLE_INERTIA_MOMENT 0.5 /* moment of inertia of particle */
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#define PARTICLE_MASS 2.5 /* mass of particle of radius MU */
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#define PARTICLE_MASS_B 1.0 /* mass of particle of radius MU */
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#define PARTICLE_INERTIA_MOMENT 0.2 /* moment of inertia of particle */
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#define PARTICLE_INERTIA_MOMENT_B 0.02 /* moment of inertia of second type of particle */
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#define V_INITIAL 20.0 /* initial velocity range */
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#define OMEGA_INITIAL 5.0 /* initial angular velocity range */
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#define V_INITIAL 0.0 /* initial velocity range */
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#define OMEGA_INITIAL 10.0 /* initial angular velocity range */
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#define VICSEK_VMIN 1.0 /* minimal speed of particles in Vicsek model */
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#define VICSEK_VMAX 40.0 /* minimal speed of particles in Vicsek model */
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#define THERMOSTAT 0 /* set to 1 to switch on thermostat */
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#define VARY_THERMOSTAT 0 /* set to 1 for time-dependent thermostat schedule */
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#define SIGMA 5.0 /* noise intensity in thermostat */
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#define BETA 0.002 /* initial inverse temperature */
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#define BETA 0.02 /* initial inverse temperature */
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#define MU_XI 0.01 /* friction constant in thermostat */
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#define KSPRING_BOUNDARY 1.0e7 /* confining harmonic potential outside simulation region */
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#define KSPRING_OBSTACLE 1.0e11 /* harmonic potential of obstacles */
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#define NBH_DIST_FACTOR 3.0 /* radius in which to count neighbours */
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#define NBH_DIST_FACTOR 2.5 /* radius in which to count neighbours */
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// #define NBH_DIST_FACTOR 4.0 /* radius in which to count neighbours */
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#define GRAVITY 0.0 /* gravity acting on all particles */
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#define GRAVITY_X 0.0 /* horizontal gravity acting on all particles */
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#define GRAVITY_X 5000.0 /* horizontal gravity acting on all particles */
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#define INCREASE_GRAVITY 0 /* set to 1 to increase gravity during the simulation */
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#define GRAVITY_SCHEDULE 2 /* type of gravity schedule, see list in global_ljones.c */
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#define GRAVITY_FACTOR 100.0 /* factor by which to increase gravity */
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#define GRAVITY_INITIAL_TIME 200 /* time at start of simulation with constant gravity */
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#define GRAVITY_RESTORE_TIME 700 /* time at end of simulation with gravity restored to initial value */
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#define KSPRING_VICSEK 0.2 /* spring constant for I_VICSEK_SPEED interaction */
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#define VICSEK_REPULSION 10.0 /* repulsion between particles in Vicsek model */
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#define ROTATION 1 /* set to 1 to include rotation of particles */
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#define COUPLE_ANGLE_TO_THERMOSTAT 0 /* set to 1 to couple angular degrees of freedom to thermostat */
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#define COUPLE_ANGLE_TO_THERMOSTAT 1 /* set to 1 to couple angular degrees of freedom to thermostat */
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#define DIMENSION_FACTOR 1.0 /* scaling factor taking into account number of degrees of freedom */
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#define KTORQUE 2.0e3 /* force constant in angular dynamics */
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#define KTORQUE 50.0 /* force constant in angular dynamics */
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#define KTORQUE_BOUNDARY 1.0e6 /* constant in torque from the boundary */
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#define KTORQUE_B 10.0 /* force constant in angular dynamics */
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#define KTORQUE_DIFF 150.0 /* force constant in angular dynamics for different particles */
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#define KTORQUE_BOUNDARY 1.0e6 /* constant in torque from the boundary */
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#define DRAW_SPIN 0 /* set to 1 to draw spin vectors of particles */
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#define DRAW_SPIN_B 0 /* set to 1 to draw spin vectors of particles */
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#define DRAW_CROSS 1 /* set to 1 to draw cross on particles of second type */
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@@ -240,7 +258,7 @@
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#define QUADRUPOLE_RATIO 0.6 /* anisotropy in quadrupole potential */
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#define INCREASE_BETA 0 /* set to 1 to increase BETA during simulation */
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#define BETA_FACTOR 0.5 /* factor by which to change BETA during simulation */
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#define BETA_FACTOR 0.02 /* factor by which to change BETA during simulation */
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#define N_TOSCILLATIONS 1.5 /* number of temperature oscillations in BETA schedule */
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#define NO_OSCILLATION 1 /* set to 1 to have exponential BETA change only */
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#define MIDDLE_CONSTANT_PHASE 2000 /* final phase in which temperature is constant */
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@@ -257,7 +275,7 @@
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#define CENTER_VIEW_ON_OBSTACLE 0 /* set to 1 to center display on moving obstacle */
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#define RESAMPLE_Y 0 /* set to 1 to resample y coordinate of moved particles (for shock waves) */
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#define NTRIALS 2000 /* number of trials when resampling */
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#define OBSTACLE_RADIUS 0.12 /* radius of obstacle for circle boundary conditions */
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#define OBSTACLE_RADIUS 0.35 /* radius of obstacle for circle boundary conditions */
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#define FUNNEL_WIDTH 0.25 /* funnel width for funnel boundary conditions */
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#define OBSTACLE_XMIN 0.0 /* initial position of obstacle */
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#define OBSTACLE_XMAX 3.0 /* final position of obstacle */
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@@ -267,7 +285,7 @@
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#define N_T_AVERAGE 1 /* size of temperature averaging window */
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#define MAX_PRESSURE 3.0e10 /* pressure shown in "hottest" color */
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#define PARTIAL_THERMO_COUPLING 0 /* set to 1 to couple only some particles to thermostat */
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#define PARTIAL_THERMO_REGION 4 /* region for partial thermostat coupling (see list in global_ljones.c) */
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#define PARTIAL_THERMO_REGION 1 /* region for partial thermostat coupling (see list in global_ljones.c) */
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#define PARTIAL_THERMO_SHIFT 0.2 /* distance from obstacle at the right of which particles are coupled to thermostat */
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#define PARTIAL_THERMO_WIDTH 0.5 /* vertical size of partial thermostat coupling */
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#define PARTIAL_THERMO_HEIGHT 0.25 /* vertical size of partial thermostat coupling */
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@@ -279,11 +297,11 @@
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#define MASS_PART_BOTTOM 10000.0 /* mass of particles at bottom */
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#define NPART_BOTTOM 100 /* number of particles at the bottom */
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#define ADD_PARTICLES 0 /* set to 1 to add particles */
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#define ADD_PARTICLES 0 /* set to 1 to add particles */
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#define ADD_TIME 0 /* time at which to add first particle */
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#define ADD_PERIOD 10000 /* time interval between adding further particles */
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#define N_ADD_PARTICLES 20 /* number of particles to add */
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#define FINAL_NOADD_PERIOD 200 /* final period where no particles are added */
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#define ADD_PERIOD 10 /* time interval between adding further particles */
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#define N_ADD_PARTICLES 2 /* number of particles to add */
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#define FINAL_NOADD_PERIOD 0 /* final period where no particles are added */
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#define SAFETY_FACTOR 2.0 /* no particles are added at distance less than MU*SAFETY_FACTOR of other particles */
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#define TRACER_PARTICLE 0 /* set to 1 to have a tracer particle */
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@@ -306,49 +324,51 @@
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#define MOVE_BOUNDARY 0 /* set to 1 to move repelling segments, due to force from particles */
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#define SEGMENTS_MASS 40.0 /* mass of collection of segments */
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#define DEACTIVATE_SEGMENT 1 /* set to 1 to deactivate last segment after a certain time */
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#define SEGMENT_DEACTIVATION_TIME 200 /* time at which to deactivate last segment */
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#define RELEASE_ROCKET_AT_DEACTIVATION 1 /* set to 1 to limit segments velocity before segment release */
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#define SEGMENT_DEACTIVATION_TIME 20 /* time at which to deactivate last segment */
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#define RELEASE_ROCKET_AT_DEACTIVATION 0 /* set to 1 to limit segments velocity before segment release */
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#define SEGMENTS_X0 1.5 /* initial position of segments */
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#define SEGMENTS_Y0 0.0 /* initial position of segments */
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#define SEGMENTS_VX0 0.0 /* initial velocity of segments */
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#define SEGMENTS_VY0 0.0 /* initial velocity of segments */
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#define DAMP_SEGS_AT_NEGATIVE_Y 0 /* set to 1 to dampen segments when y coordinate is negative */
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#define MOVE_SEGMENT_GROUPS 1 /* set to 1 to group segments into moving units */
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#define SEGMENT_GROUP_MASS 1000.0 /* mass of segment group */
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#define MOVE_SEGMENT_GROUPS 0 /* set to 1 to group segments into moving units */
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#define SEGMENT_GROUP_MASS 500.0 /* mass of segment group */
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#define SEGMENT_GROUP_I 1000.0 /* moment of inertia of segment group */
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#define SEGMENT_GROUP_DAMPING 0.0 /* damping of segment groups */
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#define GROUP_REPULSION 1 /* set to 1 for groups of segments to repel each other */
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#define KSPRING_GROUPS 1.0e11 /* harmonic potential between segment groups */
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#define GROUP_REPULSION 0 /* set to 1 for groups of segments to repel each other */
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#define KSPRING_GROUPS 5.0e11 /* harmonic potential between segment groups */
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#define GROUP_WIDTH 0.05 /* interaction width of groups */
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#define GROUP_G_REPEL 1 /* set to 1 to add repulsion between centers of mass of groups */
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#define GROUP_G_REPEL 0 /* set to 1 to add repulsion between centers of mass of groups */
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#define GROUP_G_REPEL_RADIUS 1.2 /* radius within which centers of mass of groups repel each other */
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#define TRACK_SEGMENT_GROUPS 1 /* set to 1 for view to track group of segments */
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#define TRACK_SEGMENT_GROUPS 0 /* 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 POSITION_DEP_SIGN -1.0 /* sign in position dependence condition */
|
||||
#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 15 /* type of reaction, see list in global_ljones.c */
|
||||
#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 2 /* initial condition of particles */
|
||||
#define REACTION_DIST 3.5 /* maximal distance for reaction to occur */
|
||||
#define REACTION_PROB 0.5 /* probability controlling reaction term */
|
||||
#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 CENTER_COLLIDED_PARTICLES 0 /* set to 1 to recenter particles upon reaction (may interfere with thermostat) */
|
||||
#define EXOTHERMIC 0 /* set to 1 to make reaction exo/endothermic */
|
||||
#define DELTA_EKIN 500.0 /* change of kinetic energy in reaction */
|
||||
#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 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 PRINT_LEFT 1 /* set to 1 to print certain parameters at the top left instead of right */
|
||||
#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 VMAX_PLOT_SPEEDS 0.25 /* vertical scale of plot of obstacle speeds */
|
||||
|
||||
#define EHRENFEST_COPY 0 /* set to 1 to add equal number of larger particles (for Ehrenfest model) */
|
||||
|
||||
@@ -360,20 +380,20 @@
|
||||
#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 NXMAZE 12 /* width of maze */
|
||||
#define NYMAZE 12 /* 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 RAND_SHIFT 4 /* seed of random number generator */
|
||||
#define MAZE_XSHIFT 0.5 /* horizontal shift of maze */
|
||||
#define MAZE_WIDTH 0.01 /* width of maze walls */
|
||||
|
||||
#define FLOOR_FORCE 1 /* set to 1 to limit force on particle to FMAX */
|
||||
#define FMAX 1.0e10 /* maximal force */
|
||||
#define FMAX 1.0e9 /* maximal force */
|
||||
#define FLOOR_OMEGA 0 /* set to 1 to limit particle momentum to PMAX */
|
||||
#define PMAX 1000.0 /* maximal force */
|
||||
|
||||
#define HASHX 60 /* size of hashgrid in x direction */
|
||||
#define HASHY 30 /* size of hashgrid in y direction */
|
||||
#define HASHX 100 /* size of hashgrid in x direction */
|
||||
#define HASHY 50 /* 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 */
|
||||
|
||||
@@ -382,6 +402,8 @@
|
||||
#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 LIMIT_ENERGY 0 /* set to 1 to limit energy, when there is no thermostat */
|
||||
|
||||
#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))
|
||||
@@ -826,7 +848,8 @@ void evolve_segments(t_segment segment[NMAXSEGMENTS], int time)
|
||||
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 */
|
||||
else if ((BOUNDARY_COND == BC_REFLECT_ABS)||(BOUNDARY_COND == BC_REFLECT_ABS_BOTTOM))
|
||||
/* add force from simulation boundary */
|
||||
{
|
||||
y = 0.5*(segment[i].y1 + segment[i].y2);
|
||||
if (y < YMIN) fy[group] += KSPRING_BOUNDARY*(YMIN - y);
|
||||
@@ -899,7 +922,7 @@ void evolve_segment_groups(t_segment segment[NMAXSEGMENTS], int time, t_group_se
|
||||
/* 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;
|
||||
double x, y, dx0, dy0, padding, proj, distance, f, xx[2], yy[2], xmean = 0.0, ymean = 0.0, ymax = 0.0;
|
||||
int i, j, k, group = 0;
|
||||
static double maxdepth, saturation_depth, xmax;
|
||||
static int first = 1;
|
||||
@@ -944,7 +967,8 @@ void evolve_segment_groups(t_segment segment[NMAXSEGMENTS], int time, t_group_se
|
||||
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 */
|
||||
else if ((BOUNDARY_COND == BC_REFLECT_ABS)||(BOUNDARY_COND == BC_REFLECT_ABS_BOTTOM))
|
||||
/* add force from simulation boundary */
|
||||
{
|
||||
y = 0.5*(segment[i].y1 + segment[i].y2);
|
||||
if (y < YMIN) fy[group] += KSPRING_BOUNDARY*(YMIN - y);
|
||||
@@ -1047,10 +1071,14 @@ void evolve_segment_groups(t_segment segment[NMAXSEGMENTS], int time, t_group_se
|
||||
{
|
||||
xmean += segment_group[group].xc;
|
||||
ymean += segment_group[group].yc;
|
||||
if (segment_group[group].yc > ymax) ymax = segment_group[group].yc;
|
||||
}
|
||||
xmean = xmean/((double)(ngroups-1));
|
||||
ymean = ymean/((double)(ngroups-1));
|
||||
|
||||
/* bias towards ymax */
|
||||
ymean = 0.75*ymax + 0.25*ymean;
|
||||
|
||||
if (ymean > ytrack) ytrack = ymean;
|
||||
if (xmean > xmax)
|
||||
xtrack = xmean - xmax;
|
||||
@@ -1063,7 +1091,7 @@ 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, 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, delta_energy, speed, ratio = 1.0, ratioc;
|
||||
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, delta_energy, speed, ratio = 1.0, ratioc, cum_etot = 0.0, emean = 0.0;
|
||||
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,
|
||||
@@ -1117,13 +1145,6 @@ void animation()
|
||||
lj_final_position = fopen("lj_final_position.dat", "w");
|
||||
}
|
||||
|
||||
/* 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);
|
||||
|
||||
@@ -1133,6 +1154,17 @@ void animation()
|
||||
group_speeds = (t_group_data *)malloc(ngroups*(INITIAL_TIME + NSTEPS)*sizeof(t_group_data));
|
||||
}
|
||||
|
||||
/* initialise positions and radii of circles */
|
||||
init_particle_config(particle);
|
||||
|
||||
/* add some particles, beta */
|
||||
if (ADD_INITIAL_PARTICLES) add_particle_config(particle, -0.6, 1.6, -1.0, 1.0, MU_B);
|
||||
|
||||
init_hashgrid(hashgrid);
|
||||
|
||||
xshift = OBSTACLE_XMIN;
|
||||
speed_ratio = (double)(25*NVID)*DT_PARTICLE;
|
||||
|
||||
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));
|
||||
if (PLOT_PARTICLE_NUMBER)
|
||||
@@ -1251,15 +1283,19 @@ void animation()
|
||||
{
|
||||
speed = module2(particle[j].vx,particle[j].vy);
|
||||
if ((VICSEK_VMIN > 0.0)&&(speed < VICSEK_VMIN)) speed = VICSEK_VMIN;
|
||||
if ((INTERACTION == I_VICSEK_SHARK)&&(particle[j].type == 2)) speed *= 1.75;
|
||||
if (speed > VICSEK_VMAX) speed = 0.5*(speed + VICSEK_VMAX);
|
||||
particle[j].vx = speed*cos(particle[j].angle);
|
||||
particle[j].vy = speed*sin(particle[j].angle);
|
||||
|
||||
speed = module2(px[j],py[j]);
|
||||
if ((VICSEK_VMIN > 0.0)&&(speed < VICSEK_VMIN)) speed = VICSEK_VMIN;
|
||||
if ((INTERACTION == I_VICSEK_SHARK)&&(particle[j].type == 2)) speed *= 1.75;
|
||||
if (speed > VICSEK_VMAX) speed = 0.5*(speed + VICSEK_VMAX);
|
||||
px[j] = speed*cos(particle[j].angle);
|
||||
py[j] = speed*sin(particle[j].angle);
|
||||
|
||||
|
||||
}
|
||||
|
||||
/* add gravity */
|
||||
@@ -1284,6 +1320,7 @@ void animation()
|
||||
/* 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)
|
||||
@@ -1378,6 +1415,25 @@ void animation()
|
||||
}
|
||||
|
||||
printf("Mean kinetic energy: %.3f\n", totalenergy/(double)ncircles);
|
||||
|
||||
if ((!THERMOSTAT)&&(LIMIT_ENERGY))
|
||||
{
|
||||
if (cum_etot > 0.0)
|
||||
{
|
||||
emean = cum_etot/(double)(i+1);
|
||||
if (totalenergy > 10.0*emean)
|
||||
{
|
||||
reset_energy(particle, px, py, totalenergy, emean);
|
||||
totalenergy = 0.0;
|
||||
for (j=0; j<ncircles; j++) if (particle[j].active)
|
||||
totalenergy += particle[i].energy;
|
||||
printf("Reset mean kinetic energy: %.3f\n", totalenergy/(double)ncircles);
|
||||
}
|
||||
}
|
||||
printf("Emean: %.3f\n", emean/(double)ncircles);
|
||||
cum_etot += totalenergy;
|
||||
}
|
||||
|
||||
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);
|
||||
@@ -1467,7 +1523,7 @@ void animation()
|
||||
{
|
||||
if (i >= INITIAL_TIME)
|
||||
{
|
||||
if (TIME_LAPSE_FIRST)
|
||||
if ((TIME_LAPSE)&&(TIME_LAPSE_FIRST))
|
||||
{
|
||||
if ((TIME_LAPSE)&&((i - INITIAL_TIME)%TIME_LAPSE_FACTOR == 0)&&(!DOUBLE_MOVIE))
|
||||
{
|
||||
|
||||
Reference in New Issue
Block a user