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Nils Berglund
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277
lennardjones.c
277
lennardjones.c
@@ -62,8 +62,6 @@
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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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@@ -84,11 +82,11 @@
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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 ADD_FIXED_OBSTACLES 0 /* 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 151 /* pattern of repelling segments, see list in global_ljones.c */
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#define ADD_FIXED_SEGMENTS 1 /* set to 1 to add fixed segments as obstacles */
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#define SEGMENT_PATTERN 24 /* 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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@@ -101,8 +99,8 @@
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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 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 INTERACTION 1 /* 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 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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@@ -112,18 +110,21 @@
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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 0.8 /* 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 LAMBDA 0.75 /* parameter controlling the dimensions of domain */
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#define MU 0.012 /* parameter controlling radius of particles */
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#define MU_B 0.010 /* parameter controlling radius of particles of second type */
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#define NPOLY 40 /* 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 AWEDGE 0.5 /* opening angle of wedge, in units of Pi/2 */
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#define MDEPTH 4 /* depth of computation of Menger gasket */
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#define MRATIO 3 /* ratio defining Menger gasket */
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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 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 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 NGRIDX 130 /* number of grid point for grid of disks */
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#define NGRIDY 65 /* 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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@@ -136,10 +137,10 @@
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/* Parameters for length and speed of simulation */
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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 NSTEPS 4525 /* number of frames of movie */
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// #define NSTEPS 1000 /* number of frames of movie */
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#define NVID 30 /* number of iterations between images displayed on screen */
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#define NSEG 25 /* number of segments of boundary of circles */
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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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@@ -159,7 +160,7 @@
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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 13
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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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@@ -168,12 +169,17 @@
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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 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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#define INITIAL_POS_TYPE 0 /* type of initial position dependence */
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#define ERATIO 0.995 /* ratio for time-averagin in P_EMEAN color scheme */
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#define DRATIO 0.995 /* ratio for time-averagin in P_DIRECT_EMEAN color scheme */
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/* Color schemes */
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#define COLOR_PALETTE 18 /* Color palette, see list in global_ljones.c */
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#define COLOR_PALETTE 10 /* Color palette, see list in global_ljones.c */
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#define COLOR_PALETTE_EKIN 10 /* Color palette for kinetic energy */
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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 COLOR_PALETTE_DIRECTION 17 /* Color palette for direction representation */
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#define COLOR_PALETTE_INITIAL_POS 0 /* Color palette for initial position representation */
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#define BLACK 1 /* background */
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@@ -189,9 +195,16 @@
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#define LUMAMP 0.3 /* amplitude of luminosity variation for scheme C_LUM */
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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 COLOR_HUESHIFT 0.5 /* shift in color hue (for some cyclic palettes) */
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#define PRINT_PARAMETERS 0 /* set to 1 to print certain parameters */
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#define PRINT_PARAMETERS 1 /* 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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#define PRINT_ANGLE 1 /* set to 1 to print obstacle orientation */
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#define PRINT_OMEGA 1 /* set to 1 to print angular speed */
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#define PRINT_PARTICLE_SPEEDS 0 /* set to 1 to print average speeds/momenta of particles */
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#define PRINT_SEGMENTS_SPEEDS 0 /* set to 1 to print velocity of moving segments */
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#define PRINT_SEGMENTS_FORCE 1 /* set to 1 to print force on segments */
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#define FORCE_FACTOR 0.1 /* factor controlling length of force vector */
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/* particle properties */
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@@ -199,9 +212,9 @@
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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 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 PARTICLE_EMAX 5000.0 /* energy of particle with hottest color */
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#define HUE_TYPE0 280.0 /* hue of particles of type 0 */
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#define HUE_TYPE1 60.0 /* 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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@@ -215,7 +228,7 @@
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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 2.5 /* mass of particle of radius MU */
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#define PARTICLE_MASS 1.0 /* 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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@@ -231,7 +244,9 @@
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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 2.5 /* radius in which to count neighbours */
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// #define NBH_DIST_FACTOR 2.3 /* radius in which to count neighbours */
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// #define NBH_DIST_FACTOR 2.7 /* radius in which to count neighbours */
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#define NBH_DIST_FACTOR 3.8 /* 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 5000.0 /* horizontal gravity acting on all particles */
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@@ -243,7 +258,7 @@
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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 ROTATION 0 /* set to 1 to include rotation of particles */
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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 50.0 /* force constant in angular dynamics */
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@@ -275,7 +290,7 @@
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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 0.35 /* radius of obstacle for circle boundary conditions */
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#define OBSTACLE_RADIUS 0.25 /* 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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@@ -310,16 +325,13 @@
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#define TRACER_PARTICLE_MASS 4.0 /* relative mass of tracer particle */
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#define TRAJECTORY_WIDTH 3 /* width of tracer particle trajectory */
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#define ROTATE_BOUNDARY 0 /* set to 1 to rotate the repelling segments */
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#define ROTATE_BOUNDARY 1 /* set to 1 to rotate the repelling segments */
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#define SMOOTH_ROTATION 1 /* set to 1 to update segments at each time step (rather than at each movie frame) */
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#define PERIOD_ROTATE_BOUNDARY 1000 /* period of rotating boundary */
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#define ROTATE_INITIAL_TIME 0 /* initial time without rotation */
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#define ROTATE_FINAL_TIME 100 /* final time without rotation */
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#define ROTATE_CHANGE_TIME 0.33 /* relative duration of acceleration/deceleration phases */
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#define OMEGAMAX 100.0 /* maximal rotation speed */
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#define PRINT_OMEGA 0 /* set to 1 to print angular speed */
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#define PRINT_PARTICLE_SPEEDS 0 /* set to 1 to print average speeds/momenta of particles */
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#define PRINT_SEGMENTS_SPEEDS 1 /* set to 1 to print velocity of moving segments */
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#define ROTATE_INITIAL_TIME 300 /* initial time without rotation */
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#define ROTATE_FINAL_TIME 300 /* final time without rotation */
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#define ROTATE_CHANGE_TIME 0.5 /* relative duration of acceleration/deceleration phases */
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#define OMEGAMAX -2.0*PI /* maximal rotation speed */
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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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@@ -362,6 +374,9 @@
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#define DELTA_EKIN 2000.0 /* change of kinetic energy in reaction */
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#define COLLISION_TIME 15 /* time during which collisions are shown */
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#define CHANGE_RADIUS 0 /* set to 1 to change particle radius during simulation */
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#define MU_RATIO 0.666666667 /* ratio by which to increase radius */
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#define PRINT_PARTICLE_NUMBER 0 /* set to 1 to print total number of particles */
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#define PLOT_PARTICLE_NUMBER 0 /* set to 1 to make of plot of particle number over time */
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#define PARTICLE_NB_PLOT_FACTOR 0.5 /* expected final number of particles over initial number */
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@@ -392,8 +407,8 @@
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#define FLOOR_OMEGA 0 /* set to 1 to limit particle momentum to PMAX */
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#define PMAX 1000.0 /* maximal force */
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#define HASHX 100 /* size of hashgrid in x direction */
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#define HASHY 50 /* size of hashgrid in y direction */
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#define HASHX 120 /* size of hashgrid in x direction */
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#define HASHY 60 /* size of hashgrid in y direction */
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#define HASHMAX 100 /* maximal number of particles per hashgrid cell */
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#define HASHGRID_PADDING 0.1 /* padding of hashgrid outside simulation window */
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@@ -407,6 +422,8 @@
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#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))
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#define PERIODIC_BC ((BOUNDARY_COND == BC_PERIODIC)||(BOUNDARY_COND == BC_PERIODIC_CIRCLE)||(BOUNDARY_COND == BC_PERIODIC_FUNNEL)||(BOUNDARY_COND == BC_PERIODIC_TRIANGLE))
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#define TWO_OBSTACLES ((SEGMENT_PATTERN == S_TWO_CIRCLES_EXT)||(SEGMENT_PATTERN == S_TWO_ROCKETS))
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#define COMPUTE_EMEAN ((PLOT == P_EMEAN)||(PLOT_B == P_EMEAN)||(PLOT == P_DIRECT_EMEAN)||(PLOT_B == P_DIRECT_EMEAN))
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#define COMPUTE_DIRMEAN ((PLOT == P_DIRECT_EMEAN)||(PLOT_B == P_DIRECT_EMEAN))
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double xshift = 0.0; /* x shift of shown window */
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double xspeed = 0.0; /* x speed of obstacle */
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@@ -422,6 +439,8 @@ double ysegments[2] = {SEGMENTS_Y0, SEGMENTS_Y0}; /* y coordinate of segments (
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double vxsegments[2] = {SEGMENTS_VX0, SEGMENTS_VX0}; /* vx coordinate of segments (for option MOVE_BOUNDARY) */
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double vysegments[2] = {SEGMENTS_VY0, SEGMENTS_VY0}; /* vy coordinate of segments (for option MOVE_BOUNDARY) */
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int thermostat_on = 1; /* thermostat switch used when VARY_THERMOSTAT is on */
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double cosangle[NSEG+1];
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double sinangle[NSEG+1]; /* precomputed trig functions of angles to draw circles faster */
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#define THERMOSTAT_ON ((THERMOSTAT)&&((!VARY_THERMOSTAT)||(thermostat_on)))
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@@ -667,12 +686,17 @@ int thermostat_schedule(int i)
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else return(0);
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}
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double radius_schedule(int i)
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{
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return(1.0 + (MU_RATIO - 1.0)*(double)i/(double)NSTEPS);
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}
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double evolve_particles(t_particle particle[NMAXCIRCLES], t_hashgrid hashgrid[HASHX*HASHY],
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double qx[NMAXCIRCLES], double qy[NMAXCIRCLES], double qangle[NMAXCIRCLES],
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double px[NMAXCIRCLES], double py[NMAXCIRCLES], double pangle[NMAXCIRCLES],
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double beta, int *nactive, int *nsuccess, int *nmove, int initial_phase)
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{
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double a, totalenergy = 0.0, damping;
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double a, totalenergy = 0.0, damping, direction, dmean;
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static double b = 0.25*SIGMA*SIGMA*DT_PARTICLE/MU_XI, xi = 0.0;
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int j, move;
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@@ -691,6 +715,21 @@ double evolve_particles(t_particle particle[NMAXCIRCLES], t_hashgrid hashgrid[HA
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pangle[j] = particle[j].omega + 0.5*DT_PARTICLE*particle[j].torque;
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particle[j].energy = (px[j]*px[j] + py[j]*py[j])*particle[j].mass_inv;
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if (COMPUTE_EMEAN)
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particle[j].emean = ERATIO*particle[j].emean + (1.0-ERATIO)*particle[j].energy;
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if (COMPUTE_DIRMEAN)
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{
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direction = argument(particle[j].vx, particle[j].vy);
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dmean = particle[j].dirmean;
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if (dmean < direction - PI) dmean += DPI;
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else if (dmean > direction + PI) dmean -= DPI;
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particle[j].dirmean = DRATIO*dmean + (1.0-DRATIO)*direction;
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if (particle[j].dirmean < 0.0) particle[j].dirmean += DPI;
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else if (particle[j].dirmean > DPI) particle[j].dirmean -= DPI;
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}
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if ((COUPLE_ANGLE_TO_THERMOSTAT)&&(particle[j].thermostat))
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particle[j].energy += pangle[j]*pangle[j]*particle[j].inertia_moment_inv;
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@@ -1091,10 +1130,10 @@ void evolve_segment_groups(t_segment segment[NMAXSEGMENTS], int time, t_group_se
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void animation()
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{
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double time, scale, diss, rgb[3], dissip, gradient[2], x, y, dx, dy, dt, xleft, xright,
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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;
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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;
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double *qx, *qy, *px, *py, *qangle, *pangle, *pressure, *obstacle_speeds;
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int i, j, k, n, m, s, ij[2], i0, iplus, iminus, j0, jplus, jminus, p, q, p1, q1, p2, q2, total_neighbours = 0,
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min_nb, max_nb, close, wrapx = 0, wrapy = 0, nactive = 0, nadd_particle = 0, nmove = 0, nsuccess = 0,
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min_nb, max_nb, close, wrapx = 0, wrapy = 0, nadd_particle = 0, nmove = 0, nsuccess = 0,
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tracer_n[N_TRACER_PARTICLES], traj_position = 0, traj_length = 0, move = 0, old, m0, floor, nthermo, wall = 0,
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group, gshift, n_total_active = 0, ncollisions = 0;
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int *particle_numbers;
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@@ -1108,10 +1147,20 @@ void animation()
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t_group_data *group_speeds;
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t_collision *collisions;
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t_hashgrid *hashgrid;
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t_lj_parameters params;
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char message[100];
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ratioc = 1.0 - ratio;
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/* parameter values, grouped in a structure to simplify parameter printing */
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params.beta = BETA;
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params.krepel = KREPEL;
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params.xmincontainer = BCXMIN;
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params.xmaxcontainer = BCXMAX;
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params.fboundary = 0.0;
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params.gravity = GRAVITY;
|
||||
params.radius = MU;
|
||||
|
||||
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)
|
||||
@@ -1154,6 +1203,9 @@ void animation()
|
||||
group_speeds = (t_group_data *)malloc(ngroups*(INITIAL_TIME + NSTEPS)*sizeof(t_group_data));
|
||||
}
|
||||
|
||||
/* initialise array of trig functions to speed up drawing particles */
|
||||
init_angles();
|
||||
|
||||
/* initialise positions and radii of circles */
|
||||
init_particle_config(particle);
|
||||
|
||||
@@ -1174,7 +1226,7 @@ void animation()
|
||||
|
||||
printf("Initializing configuration\n");
|
||||
|
||||
nactive = initialize_configuration(particle, hashgrid, obstacle, px, py, pangle, tracer_n, segment);
|
||||
params.nactive = initialize_configuration(particle, hashgrid, obstacle, px, py, pangle, tracer_n, segment);
|
||||
|
||||
// xi = 0.0;
|
||||
|
||||
@@ -1199,12 +1251,12 @@ void animation()
|
||||
{
|
||||
printf("Computing frame %d\n",i);
|
||||
|
||||
if (INCREASE_KREPEL) krepel = repel_schedule(i);
|
||||
if (INCREASE_BETA) beta = temperature_schedule(i);
|
||||
if (INCREASE_KREPEL) params.krepel = repel_schedule(i);
|
||||
if (INCREASE_BETA) params.beta = temperature_schedule(i);
|
||||
if (DECREASE_CONTAINER_SIZE)
|
||||
{
|
||||
xmincontainer = container_size_schedule(i);
|
||||
if (SYMMETRIC_DECREASE) xmaxcontainer = -container_size_schedule(i);
|
||||
params.xmincontainer = container_size_schedule(i);
|
||||
if (SYMMETRIC_DECREASE) params.xmaxcontainer = -container_size_schedule(i);
|
||||
}
|
||||
if ((ROTATE_BOUNDARY)&&(!SMOOTH_ROTATION)) rotate_segments(segment, rotation_schedule(i));
|
||||
if (VARY_THERMOSTAT)
|
||||
@@ -1235,7 +1287,7 @@ void animation()
|
||||
|
||||
blank();
|
||||
|
||||
fboundary = 0.0;
|
||||
params.fboundary = 0.0;
|
||||
pleft = 0.0;
|
||||
pright = 0.0;
|
||||
if (RECORD_PRESSURES) for (j=0; j<N_PRESSURES; j++) pressure[j] = 0.0;
|
||||
@@ -1245,16 +1297,22 @@ void animation()
|
||||
{
|
||||
if (MOVE_OBSTACLE)
|
||||
{
|
||||
xmincontainer = obstacle_schedule_smooth(i, n);
|
||||
xshift = xmincontainer;
|
||||
params.xmincontainer = obstacle_schedule_smooth(i, n);
|
||||
xshift = params.xmincontainer;
|
||||
}
|
||||
if ((ROTATE_BOUNDARY)&&(SMOOTH_ROTATION))
|
||||
rotate_segments(segment, rotation_schedule_smooth(i,n));
|
||||
if (ROTATE_BOUNDARY)
|
||||
{
|
||||
params.omega = angular_speed;
|
||||
params.angle = rotation_schedule_smooth(i,n);
|
||||
}
|
||||
if ((ROTATE_BOUNDARY)&&(SMOOTH_ROTATION)) rotate_segments(segment, rotation_schedule_smooth(i,n));
|
||||
|
||||
if (INCREASE_GRAVITY) gravity = gravity_schedule(i,n);
|
||||
if (INCREASE_GRAVITY) params.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++)
|
||||
if ((MOVE_BOUNDARY)||(MOVE_SEGMENT_GROUPS)||(PRINT_SEGMENTS_FORCE)) for (j=0; j<nsegments; j++)
|
||||
{
|
||||
segment[j].fx = 0.0;
|
||||
segment[j].fy = 0.0;
|
||||
@@ -1272,10 +1330,10 @@ void animation()
|
||||
particle[j].torque = 0.0;
|
||||
|
||||
/* compute force from other particles */
|
||||
compute_particle_force(j, krepel, particle, hashgrid);
|
||||
compute_particle_force(j, params.krepel, particle, hashgrid);
|
||||
|
||||
/* take care of boundary conditions */
|
||||
fboundary += compute_boundary_force(j, particle, obstacle, segment, xmincontainer, xmaxcontainer, &pleft, &pright, pressure, wall);
|
||||
params.fboundary += compute_boundary_force(j, particle, obstacle, segment, params.xmincontainer, params.xmaxcontainer, &pleft, &pright, pressure, wall);
|
||||
|
||||
/* align velocities in case of Vicsek models */
|
||||
// if (VICSEK_INT)
|
||||
@@ -1299,7 +1357,7 @@ void animation()
|
||||
}
|
||||
|
||||
/* add gravity */
|
||||
if (INCREASE_GRAVITY) particle[j].fy -= gravity/particle[j].mass_inv;
|
||||
if (INCREASE_GRAVITY) particle[j].fy -= params.gravity/particle[j].mass_inv;
|
||||
else
|
||||
{
|
||||
particle[j].fy -= GRAVITY/particle[j].mass_inv;
|
||||
@@ -1318,14 +1376,14 @@ void animation()
|
||||
}
|
||||
|
||||
/* timestep of thermostat algorithm */
|
||||
totalenergy = evolve_particles(particle, hashgrid, qx, qy, qangle, px, py, pangle, beta, &nactive, &nsuccess, &nmove, i < INITIAL_TIME);
|
||||
totalenergy = evolve_particles(particle, hashgrid, qx, qy, qangle, px, py, pangle, params.beta, ¶ms.nactive, &nsuccess, &nmove, i < INITIAL_TIME);
|
||||
|
||||
|
||||
/* evolution of lid coordinate */
|
||||
if (BOUNDARY_COND == BC_RECTANGLE_LID) evolve_lid(fboundary);
|
||||
if (BOUNDARY_COND == BC_RECTANGLE_LID) evolve_lid(params.fboundary);
|
||||
if (BOUNDARY_COND == BC_RECTANGLE_WALL)
|
||||
{
|
||||
if (i < INITIAL_TIME + WALL_TIME) evolve_wall(fboundary);
|
||||
if (i < INITIAL_TIME + WALL_TIME) evolve_wall(params.fboundary);
|
||||
else xwall = 0.0;
|
||||
}
|
||||
if ((MOVE_BOUNDARY)&&(i > OBSTACLE_INITIAL_TIME)) evolve_segments(segment, i);
|
||||
@@ -1378,10 +1436,10 @@ void animation()
|
||||
if ((PARTIAL_THERMO_COUPLING)&&(i>N_T_AVERAGE))
|
||||
{
|
||||
nthermo = partial_thermostat_coupling(particle, xshift + PARTIAL_THERMO_SHIFT, segment);
|
||||
printf("%i particles coupled to thermostat out of %i active\n", nthermo, nactive);
|
||||
mean_energy = compute_mean_energy(particle);
|
||||
printf("%i particles coupled to thermostat out of %i active\n", nthermo, params.nactive);
|
||||
params.mean_energy = compute_mean_energy(particle);
|
||||
}
|
||||
else mean_energy = totalenergy/(double)ncircles;
|
||||
else params.mean_energy = totalenergy/(double)ncircles;
|
||||
|
||||
if (CENTER_PX) center_momentum(px);
|
||||
if (CENTER_PY) center_momentum(py);
|
||||
@@ -1434,9 +1492,9 @@ void animation()
|
||||
cum_etot += totalenergy;
|
||||
}
|
||||
|
||||
printf("Boundary force: %.3f\n", fboundary/(double)(ncircles*NVID));
|
||||
printf("Boundary force: %.3f\n", params.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);
|
||||
if (INCREASE_GRAVITY) printf("Gravity: %.3f\n", params.gravity);
|
||||
|
||||
total_neighbours = 0;
|
||||
min_nb = 100;
|
||||
@@ -1456,11 +1514,11 @@ void animation()
|
||||
if ((i > INITIAL_TIME)&&(REACTION_DIFFUSION))
|
||||
{
|
||||
ncollisions = update_types(particle, collisions, ncollisions, particle_numbers, i - INITIAL_TIME - 1, &delta_energy);
|
||||
if (EXOTHERMIC) beta *= 1.0/(1.0 + delta_energy/totalenergy);
|
||||
nactive = 0;
|
||||
if (EXOTHERMIC) params.beta *= 1.0/(1.0 + delta_energy/totalenergy);
|
||||
params.nactive = 0;
|
||||
for (j=0; j<ncircles; j++) if (particle[j].active)
|
||||
{
|
||||
nactive++;
|
||||
params.nactive++;
|
||||
qx[j] = particle[j].xc;
|
||||
qy[j] = particle[j].yc;
|
||||
px[j] = particle[j].vx;
|
||||
@@ -1470,8 +1528,8 @@ void animation()
|
||||
}
|
||||
|
||||
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
|
||||
draw_particles(particle, PLOT, beta, collisions, ncollisions);
|
||||
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
|
||||
draw_particles(particle, PLOT, params.beta, collisions, ncollisions);
|
||||
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))
|
||||
@@ -1480,11 +1538,22 @@ void animation()
|
||||
nadd_particle = add_particles(particle, px, py, nadd_particle);
|
||||
}
|
||||
|
||||
/* change particle radius */
|
||||
if (CHANGE_RADIUS)
|
||||
{
|
||||
radius_ratio = radius_schedule(i+1)/radius_schedule(i);
|
||||
printf("Particle radius factor %.5lg\t", radius_schedule(i+1));
|
||||
for (j=0; j<ncircles; j++) particle[j].radius *= radius_ratio;
|
||||
printf("Particle 0 radius %.5lg\n", particle[0].radius);
|
||||
params.radius *= radius_ratio;
|
||||
}
|
||||
|
||||
/* compute force on segments */
|
||||
if (PRINT_SEGMENTS_FORCE) compute_segments_force(¶ms, segment);
|
||||
|
||||
update_hashgrid(particle, hashgrid, 1);
|
||||
|
||||
if (PRINT_PARAMETERS)
|
||||
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
|
||||
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
|
||||
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)
|
||||
@@ -1504,7 +1573,6 @@ void animation()
|
||||
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)
|
||||
{
|
||||
@@ -1546,11 +1614,9 @@ void animation()
|
||||
if ((i >= INITIAL_TIME)&&(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);
|
||||
if (PRINT_PARAMETERS)
|
||||
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
|
||||
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
|
||||
draw_particles(particle, PLOT_B, params.beta, collisions, ncollisions);
|
||||
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);
|
||||
@@ -1560,7 +1626,6 @@ void animation()
|
||||
print_particle_types_number(particle, RD_TYPES);
|
||||
else 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);
|
||||
@@ -1601,11 +1666,9 @@ void animation()
|
||||
{
|
||||
blank();
|
||||
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
|
||||
draw_particles(particle, PLOT, beta, collisions, ncollisions);
|
||||
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
|
||||
if (PRINT_PARAMETERS)
|
||||
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
|
||||
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
|
||||
draw_particles(particle, PLOT, params.beta, collisions, ncollisions);
|
||||
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);
|
||||
@@ -1615,7 +1678,6 @@ void animation()
|
||||
print_particle_types_number(particle, RD_TYPES);
|
||||
else 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);
|
||||
@@ -1630,11 +1692,9 @@ void animation()
|
||||
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);
|
||||
if (PRINT_PARAMETERS)
|
||||
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
|
||||
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
|
||||
draw_particles(particle, PLOT_B, params.beta, collisions, ncollisions);
|
||||
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);
|
||||
@@ -1644,7 +1704,6 @@ void animation()
|
||||
print_particle_types_number(particle, RD_TYPES);
|
||||
else 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);
|
||||
@@ -1660,45 +1719,45 @@ void animation()
|
||||
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);
|
||||
params.nactive = 0;
|
||||
for (j=0; j<ncircles; j++) if (particle[j].active) params.nactive++;
|
||||
printf("%i active particles\n", params.nactive);
|
||||
|
||||
printf("1\n");
|
||||
// printf("1\n");
|
||||
free(particle);
|
||||
printf("2\n");
|
||||
// printf("2\n");
|
||||
if (ADD_FIXED_OBSTACLES) free(obstacle);
|
||||
printf("3\n");
|
||||
// printf("3\n");
|
||||
if (ADD_FIXED_SEGMENTS)
|
||||
{
|
||||
free(segment);
|
||||
free(segment_group);
|
||||
}
|
||||
printf("4\n");
|
||||
// printf("4\n");
|
||||
if (MOVE_SEGMENT_GROUPS) free(group_speeds);
|
||||
printf("5\n");
|
||||
// printf("5\n");
|
||||
if (TRACER_PARTICLE) free(trajectory);
|
||||
printf("6\n");
|
||||
// printf("6\n");
|
||||
if (PLOT_SPEEDS) free(obstacle_speeds);
|
||||
printf("7\n");
|
||||
// printf("7\n");
|
||||
if (PLOT_PARTICLE_NUMBER) free(particle_numbers);
|
||||
printf("8\n");
|
||||
// printf("8\n");
|
||||
free(hashgrid);
|
||||
printf("9\n");
|
||||
// printf("9\n");
|
||||
free(qx);
|
||||
printf("10\n");
|
||||
// printf("10\n");
|
||||
free(qy);
|
||||
printf("11\n");
|
||||
// printf("11\n");
|
||||
free(px);
|
||||
printf("12\n");
|
||||
// printf("12\n");
|
||||
free(py);
|
||||
printf("13\n");
|
||||
// printf("13\n");
|
||||
free(qangle);
|
||||
printf("14\n");
|
||||
// printf("14\n");
|
||||
free(pangle);
|
||||
printf("15\n");
|
||||
// printf("15\n");
|
||||
free(pressure);
|
||||
printf("16\n");
|
||||
// printf("16\n");
|
||||
if (REACTION_DIFFUSION) free(collisions);
|
||||
|
||||
if (SAVE_TIME_SERIES)
|
||||
|
||||
Reference in New Issue
Block a user