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Nils Berglund
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308
lennardjones.c
308
lennardjones.c
@@ -37,7 +37,7 @@
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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 DOUBLE_MOVIE 0 /* 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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@@ -58,47 +58,47 @@
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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 -1.95
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#define INITXMAX -1.9 /* x interval for initial condition */
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#define INITYMIN 0.9
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#define INITYMAX 1.0 /* y interval for initial condition */
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#define INITXMIN -0.1
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#define INITXMAX 0.1 /* x interval for initial condition */
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#define INITYMIN -0.1
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#define INITYMAX 0.1 /* y interval for initial condition */
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#define THERMOXMIN -1.25
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#define THERMOXMAX 1.25 /* x interval for initial condition */
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#define THERMOYMIN 0.0
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#define THERMOYMAX 0.75 /* y interval for initial condition */
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#define ADDXMIN -1.95
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#define ADDXMAX -1.9 /* x interval for adding particles */
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#define ADDYMIN 0.0
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#define ADDYMAX 0.6 /* y interval for adding particles */
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#define ADDXMIN -1.9
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#define ADDXMAX 1.9 /* x interval for adding particles */
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#define ADDYMIN 1.2
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#define ADDYMAX 1.3 /* y interval for adding particles */
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#define ADDRMIN 4.75
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#define ADDRMAX 6.0 /* r 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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#define BCYMIN -1.125
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#define BCYMAX 1.125 /* y interval for boundary condition */
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#define BCYMAX 1.325 /* y interval for boundary condition */
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#define OBSXMIN -1.8
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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 OBSYMIN -1.125
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#define OBSYMAX 1.125 /* x interval for motion of obstacle */
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#define CIRCLE_PATTERN 1 /* pattern of circles, see list in global_ljones.c */
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#define CIRCLE_PATTERN 0 /* pattern of circles, 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 0 /* pattern of circles for additional particles */
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#define ADD_FIXED_OBSTACLES 0 /* set to 1 do add fixed circular obstacles */
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#define OBSTACLE_PATTERN 91 /* pattern of obstacles, see list in global_ljones.c */
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#define OBSTACLE_PATTERN 9 /* pattern of obstacles, see list in global_ljones.c */
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#define RATTLE_OBSTACLES 0 /* set to 1 to rattle obstacles (for pattern O_SIEVE_B) */
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#define OSCILLATE_OBSTACLES 1 /* set to 1 to make obstacles oscillate */
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#define COUPLE_OBSTACLES 1 /* set to 1 to couple obstacles to neighbours */
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#define OBSTACLE_PISC_DISTANCE 0.08 /* minimal distance in Poisson disc process for obstacles, controls density of obstacles */
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#define OBSTACLE_COUPLING_DIST 0.12 /* max distance of coupled obstacles */
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#define OBSTACLE_COUPLING_DIST 0.2 /* max distance of coupled obstacles */
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#define NMAX_OBSTACLE_NEIGHBOURS 8 /* max number of obstacle neighbours */
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#define NMAX_OBSTACLE_PINNED 3 /* max number of neighbours to be pinned */
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#define NMAX_OBSTACLE_PINNED 6 /* max number of neighbours to be pinned */
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#define OBSTACLE_PINNING_TYPE 0 /* type of obstacle pinning, see OP_ in global_ljones */
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#define BDRY_PINNING_STEP 4 /* interval between pinned obstacles on boundary */
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#define RECOUPLE_OBSTACLES 0 /* set to 1 to reset obstacle coupling */
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@@ -130,7 +130,7 @@
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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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#define MOL_ANGLE_FACTOR 4.0 /* rotation angle for P_MOL_ANGLE color scheme */
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#define MOL_ANGLE_FACTOR 1.0 /* rotation angle for P_MOL_ANGLE color scheme */
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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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@@ -139,9 +139,9 @@
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#define RANDOM_POLY_ANGLE 0 /* set to 1 to randomize angle of polygons */
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#define LAMBDA 0.2 /* parameter controlling the dimensions of domain */
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#define MU 0.02 /* parameter controlling radius of particles */
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#define MU_B 0.03 /* parameter controlling radius of particles of second type */
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#define MU_ADD 0.02 /* parameter controlling radius of added particles */
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#define MU 0.016 /* 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 MU_ADD 0.016 /* parameter controlling radius of added particles */
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#define NPOLY 3 /* 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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@@ -156,8 +156,8 @@
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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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#define DAM_WIDTH 0.05 /* width of dam for S_DAM segment configuration */
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#define NOBSX 40
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#define NOBSY 24 /* obstacles for O_HEX obstacle pattern */
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#define NOBSX 24
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#define NOBSY 14 /* obstacles for O_HEX obstacle pattern */
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#define NTREES 15 /* number of trees in S_TREES */
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#define X_SHOOTER -0.2
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@@ -167,10 +167,10 @@
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/* Parameters for length and speed of simulation */
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#define NSTEPS 2200 /* number of frames of movie */
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#define NVID 150 /* number of iterations between images displayed on screen */
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#define NSTEPS 4800 /* number of frames of movie */
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#define NVID 100 /* 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 30 /* time after which to start saving frames */
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#define INITIAL_TIME 0 /* time after which to start saving frames */
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#define OBSTACLE_INITIAL_TIME 0 /* 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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@@ -189,15 +189,14 @@
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/* Plot type, see list in global_ljones.c */
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#define PLOT 17
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// #define PLOT 23
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#define PLOT 13
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#define PLOT_B 17 /* plot type for second movie */
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/* Background color depending on particle properties */
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#define COLOR_BACKGROUND 1 /* set to 1 to color background */
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#define BG_COLOR 4 /* type of background coloring, see list in global_ljones.c */
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#define BG_COLOR_B 2 /* type of background coloring, see list in global_ljones.c */
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#define COLOR_BACKGROUND 0 /* set to 1 to color background */
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#define BG_COLOR 6 /* type of background coloring, see list in global_ljones.c */
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#define BG_COLOR_B 9 /* type of background coloring, see list in global_ljones.c */
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#define OBSTACLE_COLOR 0 /* type of obstacle, see OC_ in global_ljones.c */
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#define DRAW_BONDS 0 /* set to 1 to draw bonds between neighbours */
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@@ -212,7 +211,7 @@
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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-averaging in P_EMEAN color scheme */
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#define DRATIO 0.999 /* ratio for time-averaging in P_DIRECT_EMEAN color scheme */
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#define OBSTACLE_AREA_SHADE_FACTOR 80.0 /* controls sensitivity of triangle shade for option FILL_OBSTACLE_TRIANGLES */
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#define OBSTACLE_AREA_SHADE_FACTOR 75.0 /* controls sensitivity of triangle shade for option FILL_OBSTACLE_TRIANGLES */
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#define SHADE_OBSTACLE_FACETS 1 /* set to 1 to shade facets instead of triangles */
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/* Color schemes */
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@@ -220,7 +219,7 @@
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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 0 /* Color palette for angle representation */
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#define COLOR_PALETTE_DIRECTION 17 /* Color palette for direction representation */
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#define COLOR_PALETTE_DIRECTION 0 /* Color palette for direction representation */
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#define COLOR_PALETTE_INITIAL_POS 10 /* Color palette for initial position representation */
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#define COLOR_PALETTE_DIFFNEIGH 10 /* Color palette for different neighbours representation */
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#define COLOR_PALETTE_PRESSURE 11 /* Color palette for different neighbours representation */
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@@ -228,6 +227,8 @@
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#define COLOR_PALETTE_CLUSTER 14 /* Color palette for cluster representation */
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#define COLOR_PALETTE_CLUSTER_SIZE 13 /* Color palette for cluster size representation */
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#define COLOR_PALETTE_CLUSTER_SELECTED 11 /* Color palette for selected cluster representation */
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#define COLOR_PALETTE_ANGULAR_MOMENTUM 17 /* Color palette for angular momentum */
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#define COLOR_PALETTE_CURRENT 17 /* Color palette for current */
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#define COLOR_HUE_CLUSTER_SELECTED 90.0 /* Color hue for selected cluster */
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#define COLOR_HUE_CLUSTER_NOT_SELECTED 220.0 /* Color hue for selected cluster */
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@@ -237,6 +238,7 @@
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#define SCALE 0 /* set to 1 to adjust color scheme to variance of field */
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#define SLOPE 0.5 /* sensitivity of color on wave amplitude */
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#define COLOR_RANGE 1.0 /* max range of color (default: 1.0) */
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#define ATTENUATION 0.0 /* exponential attenuation coefficient of contrast with time */
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#define COLORHUE 260 /* initial hue of water color for scheme C_LUM */
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@@ -245,7 +247,7 @@
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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 COLOR_HUESHIFT 1.0 /* shift in color hue (for some cyclic palettes) */
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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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@@ -264,11 +266,11 @@
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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_EMIN 100.0 /* energy of particle with coolest color */
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#define PARTICLE_EMAX 100000.0 /* energy of particle with hottest color */
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#define PARTICLE_EMIN 0.0 /* energy of particle with coolest color */
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#define PARTICLE_EMAX 50000.0 /* energy of particle with hottest color */
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#define SEGMENT_HUE_MIN 275.0 /* color of original segment */
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#define SEGMENT_HUE_MAX 30.0 /* color of saturated segment */
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#define OBSTACLE_EMAX 150.0 /* energy of obstacle with hottest color */
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#define OBSTACLE_EMAX 1000000.0 /* energy of obstacle with hottest color */
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#define OBSTACLE_VMAX 4.0 /* speed of obstacle with largest luminosity */
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#define HUE_TYPE0 320.0 /* 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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@@ -279,33 +281,36 @@
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#define HUE_TYPE6 130.0 /* hue of particles of type 6 */
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#define HUE_TYPE7 150.0 /* hue of particles of type 7 */
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#define BG_FORCE_SLOPE 1.0e-6 /* contant in BG_FORCE backgound color scheme*/
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#define PARTICLE_LMAX 1.5e4 /* angular momentum particle with brightest color */
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#define RANDOM_RADIUS 0 /* set to 1 for random particle radius */
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#define RANDOM_RADIUS_MIN 0.4 /* min of random particle radius (default 0.75) */
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#define RANDOM_RADIUS_RANGE 1.0 /* range of random particle radius (default 0.5) */
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#define ADAPT_MASS_TO_RADIUS 1 /* set to positive value to for mass prop to power of radius */
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#define ADAPT_DAMPING_TO_RADIUS 0.5 /* set to positive value to for friction prop to power of radius */
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#define ADAPT_DAMPING_FACTOR 0.5 /* factor by which damping is adapted to radius */
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#define DT_PARTICLE 1.5e-6 /* time step for particle displacement */
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#define KREPEL 50.0 /* 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 2.5 /* Lennard-Jones equilibrium distance for second type of particle */
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#define ADAPT_MASS_TO_RADIUS 0 /* set to positive value to for mass prop to power of radius */
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#define ADAPT_DAMPING_TO_RADIUS 0.0 /* set to positive value to for friction prop to power of radius */
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#define ADAPT_DAMPING_FACTOR 0.0 /* factor by which damping is adapted to radius */
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#define DT_PARTICLE 1.0e-6 /* time step for particle displacement */
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#define KREPEL 20.0 /* constant in repelling force between particles */
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#define EQUILIBRIUM_DIST 4.0 /* Lennard-Jones equilibrium distance */
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#define EQUILIBRIUM_DIST_B 4.0 /* Lennard-Jones equilibrium distance for second type of particle */
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#define SEGMENT_FORCE_EQR 1.0 /* equilibrium distance factor for force from segments (default 1.5) */
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#define REPEL_RADIUS 25.0 /* 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 DAMPING 50.0 /* damping coefficient of particles */
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#define INITIAL_DAMPING 1000.0 /* damping coefficient of particles during initial phase */
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#define DAMPING_ROT 5.0 /* damping coefficient for rotation of particles */
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#define DAMPING_PAIRS 0.0 /* damping between paired particles */
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#define PARTICLE_MASS 2.0 /* mass of particle of radius MU */
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#define PARTICLE_MASS_B 2.0 /* mass of particle of radius MU_B */
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#define PARTICLE_MASS_B 1.0 /* mass of particle of radius MU_B */
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#define PARTICLE_ADD_MASS 2.0 /* mass of added particles */
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#define PARTICLE_INERTIA_MOMENT 0.5 /* moment of inertia of particle */
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#define PARTICLE_INERTIA_MOMENT_B 0.5 /* moment of inertia of second type of particle */
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#define V_INITIAL 200.0 /* initial velocity range */
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#define V_INITIAL_ADD 50.0 /* initial velocity range for added particles */
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#define PARTICLE_INERTIA_MOMENT 0.1 /* moment of inertia of particle */
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#define PARTICLE_INERTIA_MOMENT_B 0.1 /* moment of inertia of second type of particle */
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#define V_INITIAL 100.0 /* initial velocity range */
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#define V_INITIAL_ADD 100.0 /* initial velocity range for added particles */
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#define OMEGA_INITIAL 100.0 /* 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 COULOMB_LJ_FACTOR 1.0 /* relative intensity of LJ interaction in I_COULOMB_LJ interaction (default: 0.01) */
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#define OBSTACLE_DAMPING 0.0 /* damping of oscillating obstacles */
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#define V_INITIAL_TYPE 0 /* type of initial speed distribution (see VI_ in global_ljones.c) */
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@@ -315,9 +320,9 @@
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#define BETA 0.004 /* initial inverse temperature */
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#define MU_XI 0.005 /* friction constant in thermostat */
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#define KSPRING_BOUNDARY 2.0e11 /* confining harmonic potential outside simulation region */
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#define KSPRING_OBSTACLE 1.0e9 /* harmonic potential of obstacles */
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#define KSPRING_OBSTACLE 5.0e11 /* harmonic potential of obstacles */
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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 10000.0 /* 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 CIRCULAR_GRAVITY 0 /* set to 1 to have gravity directed to center */
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#define INCREASE_GRAVITY 0 /* set to 1 to increase gravity during the simulation */
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@@ -328,34 +333,41 @@
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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 ADD_EFIELD 0 /* set to 1 to add an electric field */
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#define EFIELD -100.0 /* value of electric field */
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#define EFIELD_Y 0.0 /* value of electric field */
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#define ADD_BFIELD 0 /* set to 1 to add a magnetic field */
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#define BFIELD 0.0 /* value of magnetic field */
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#define CHARGE 1.0 /* charge of particles of first type */
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#define CHARGE_B 1.0 /* charge of particles of second type */
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#define CHARGE_ADD 1.0 /* charge of added particles */
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#define INCREASE_E 0 /* set to 1 to increase electric field */
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#define EFIELD_FACTOR 5000000.0 /* factor by which to increase electric field */
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#define ADD_EFIELD 0 /* set to 1 to add an electric field */
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#define EFIELD 150000.0 /* value of electric field */
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#define EFIELD_Y 0.0 /* value of electric field */
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#define ADD_BFIELD 0 /* set to 1 to add a magnetic field */
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#define BFIELD 20000.0 /* value of magnetic field */
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#define CHARGE 1.0 /* charge of particles of first type */
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#define CHARGE_B -1.0 /* charge of particles of second type */
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#define CHARGE_ADD 1.0 /* charge of added particles */
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#define INCREASE_E 0 /* set to 1 to increase electric field */
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#define OSCILLATE_E 0 /* set to 1 for oscillating electric field */
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#define E_PERIOD 1000 /* period of oscillating electric field */
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#define EFIELD_FACTOR 180000.0 /* factor by which to increase electric field */
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#define INCREASE_B 0 /* set to 1 to increase magnetic field */
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#define BFIELD_FACTOR 1.0 /* factor by which to increase magnetic field */
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#define CHARGE_OBSTACLES 0 /* set to 1 for obstacles to be charged */
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#define OBSTACLE_CHARGE 3.0 /* charge of obstacles */
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#define OBSTACLE_MASS 100.0 /* mass of obstacles, if oscillating */
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#define KSPRING_OBSTACLE_OSC 5.0e5 /* spring constant for oscillating obstacles */
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#define KSPRING_OBSTACLE_COUPLE 2.0e5 /* spring constant for coupled obstacles */
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#define OBSTACLE_HARDCORE 1 /* set to 1 to add "hard core" repulsion between obstacles */
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#define BFIELD_FACTOR 1000.0 /* factor by which to increase magnetic field */
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#define CHARGE_OBSTACLES 1 /* set to 1 for obstacles to be charged */
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#define OBSTACLE_CHARGE 1.0 /* charge of obstacles */
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#define OBSTACLE_MASS 1000.0 /* mass of obstacles, if oscillating */
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#define KSPRING_OBSTACLE_OSC 1.0e10 /* spring constant for oscillating obstacles */
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#define KSPRING_OBSTACLE_COUPLE 1.0e8 /* spring constant for coupled obstacles */
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#define OBSTACLE_HARDCORE 0 /* set to 1 to add "hard core" repulsion between obstacles */
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#define KSPRING_OBSTACLE_HARDCORE 1.0e11 /* spring constant for obstacle hard core repulsion */
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#define KCOULOMB_OBSTACLE 1000.0 /* Coulomb force constant for charged obstacles */
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#define EFIELD_REGION 0 /* space-dependent magnetic field (0 for constant) */
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#define EFIELD_REGION 0 /* space-dependent electric field (0 for constant) */
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#define BFIELD_REGION 0 /* space-dependent magnetic field (0 for constant) */
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#define DRAW_E_ARROW 0 /* set to 1 to draw E field arrow */
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#define E_ARROW_YSHIFT 0.05 /* vertical position of E field arrow */
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#define PRINT_CURRENT 0 /* set to 1 to print electric current (x component) */
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#define DRAW_CURRENT_ARROW 0 /* set to 1 to draw current arrow */
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#define MAX_CURRENT 200.0 /* current scale */
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#define ADD_WIND 0 /* set to 1 to add a "wind" friction force */
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#define WIND_FORCE 1.35e6 /* force of wind */
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#define WIND_YMIN -0.6 /* min altitude of region with wind */
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#define ROTATION 0 /* set to 1 to include rotation of particles */
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#define ROTATION 0 /* set to 1 to include rotation of particles */
|
||||
#define COUPLE_ANGLE_TO_THERMOSTAT 0 /* set to 1 to couple angular degrees of freedom to thermostat */
|
||||
#define DIMENSION_FACTOR 1.0 /* scaling factor taking into account number of degrees of freedom */
|
||||
#define KTORQUE 1.0e5 /* force constant in angular dynamics */
|
||||
@@ -391,7 +403,7 @@
|
||||
#define CENTER_VIEW_ON_OBSTACLE 0 /* set to 1 to center display on moving obstacle */
|
||||
#define RESAMPLE_Y 0 /* set to 1 to resample y coordinate of moved particles (for shock waves) */
|
||||
#define NTRIALS 2000 /* number of trials when resampling */
|
||||
#define OBSTACLE_RADIUS 0.015 /* radius of obstacle for circle boundary conditions */
|
||||
#define OBSTACLE_RADIUS 0.02 /* radius of obstacle for circle boundary conditions */
|
||||
#define FUNNEL_WIDTH 0.25 /* funnel width for funnel boundary conditions */
|
||||
#define OBSTACLE_XMIN 0.0 /* initial position of obstacle */
|
||||
#define OBSTACLE_XMAX 3.0 /* final position of obstacle */
|
||||
@@ -417,19 +429,21 @@
|
||||
|
||||
#define ADD_PARTICLES 1 /* set to 1 to add particles */
|
||||
#define ADD_REGION 0 /* shape of add regions, cf ADD_* in global_ljones */
|
||||
#define ADD_TIME 0 /* time at which to add first particle */
|
||||
#define ADD_PERIOD 35 /* time interval between adding further particles */
|
||||
#define ADD_TIME 0 /* time at which to add first particle */
|
||||
#define ADD_PERIOD 25 /* time interval between adding further particles */
|
||||
#define N_ADD_PARTICLES 1 /* number of particles to add */
|
||||
#define FINAL_NOADD_PERIOD 250 /* final period where no particles are added */
|
||||
#define FINAL_NOADD_PERIOD 1000 /* final period where no particles are added */
|
||||
#define SAFETY_FACTOR 4.0 /* no particles are added at distance less than MU*SAFETY_FACTOR of other particles */
|
||||
#define ADD_ALTERNATE_CHARGE 1 /* set to 1 to randomly select sign of added charge */
|
||||
#define ALTERNATE_CHARGE_PROPORTION 0.5 /* proportion of particles of opposite charge */
|
||||
|
||||
#define TRACER_PARTICLE 1 /* set to 1 to have a tracer particle */
|
||||
#define N_TRACER_PARTICLES 200 /* number of tracer particles */
|
||||
#define N_TRACER_PARTICLES 500 /* number of tracer particles */
|
||||
#define TRACER_STEPS 5 /* number of tracer steps recorded between images */
|
||||
#define TRAJECTORY_LENGTH 5000 /* length of recorded trajectory */
|
||||
#define TRACER_LUM_FACTOR 40.0 /* controls luminosity decrease of trajectories with time */
|
||||
#define TRACER_PARTICLE_MASS 4.0 /* relative mass of tracer particle */
|
||||
#define TRAJECTORY_LENGTH 5200 /* length of recorded trajectory */
|
||||
#define TRAJECTORY_DRAW_LENGTH 1000 /* length of drawn trajectory */
|
||||
#define TRACER_LUM_FACTOR 25.0 /* controls luminosity decrease of trajectories with time */
|
||||
#define TRACER_PARTICLE_MASS 2.0 /* relative mass of tracer particle */
|
||||
#define TRAJECTORY_WIDTH 2 /* width of tracer particle trajectory */
|
||||
|
||||
#define TRACK_PARTICLE 0 /* set to 1 to track a given particle */
|
||||
@@ -480,26 +494,29 @@
|
||||
#define POSITION_DEP_X -0.625 /* threshold value for position-dependent type */
|
||||
#define PRINT_ENTROPY 0 /* set to 1 to compute entropy */
|
||||
|
||||
#define SPECIAL_IC 0 /* set to 1 for choosing specaial initial condition RD_INITIAL_COND */
|
||||
#define REACTION_DIFFUSION 0 /* set to 1 to simulate a chemical reaction (particles may change type) */
|
||||
#define RD_REACTION 262 /* type of reaction, see list in global_ljones.c */
|
||||
#define RD_TYPES 1 /* number of types in reaction-diffusion equation */
|
||||
#define RD_INITIAL_COND 0 /* initial condition of particles */
|
||||
#define REACTION_DIST 1.2 /* maximal distance for reaction to occur */
|
||||
#define REACTION_MAX_TIME 100 /* time after which no reactions take place */
|
||||
#define RD_REACTION 231 /* type of reaction, see list in global_ljones.c */
|
||||
#define RD_TYPES 2 /* number of types in reaction-diffusion equation */
|
||||
#define RD_INITIAL_COND 51 /* initial condition of particles */
|
||||
#define REACTION_DIST 1.8 /* maximal distance for reaction to occur */
|
||||
#define REACTION_PROB 1.0 /* probability controlling reaction term */
|
||||
#define DISSOCIATION_PROB 0.0 /* probability controlling dissociation reaction */
|
||||
#define KILLING_PROB 0.0015 /* probability of enzymes being killed */
|
||||
#define DELTAMAX 0.1 /* max orientation difference for pairing polygons */
|
||||
#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 2000.0 /* change of kinetic energy in reaction */
|
||||
#define CENTER_COLLIDED_PARTICLES 1 /* set to 1 to recenter particles upon reaction (may interfere with thermostat) */
|
||||
#define EXOTHERMIC 1 /* set to 1 to make reaction exo/endothermic */
|
||||
#define DELTA_EKIN -2.0e10 /* change of kinetic energy in reaction */
|
||||
#define CORRECT_EQUILIBRIUM_POSITION 1 /* set to 1 to nudge particle dist towards eq dist */
|
||||
#define COLLISION_TIME 25 /* time during which collisions are shown */
|
||||
#define COLLISION_RADIUS 2.0 /* radius of discs showing collisions, in units of MU */
|
||||
#define DELTAVMAX 200.0 /* maximal deltav allowed for pairing molecules */
|
||||
#define AGREGMAX 6 /* maximal number of partners for CHEM_AGGREGATION reaction */
|
||||
#define AGREGMAX 1 /* maximal number of partners for CHEM_AGGREGATION reaction */
|
||||
#define AGREG_DECOUPLE 12 /* minimal number of partners to decouple from thermostat */
|
||||
#define CLUSTER_PARTICLES 0 /* set to 1 for particles to form rigid clusters */
|
||||
#define CLUSTER_MAXSIZE 1000 /* max size of clusters */
|
||||
#define SMALL_CLUSTER_MAXSIZE 10 /* size limitation on smaller cluster */
|
||||
#define CLUSTER_MAXSIZE 2 /* max size of clusters */
|
||||
#define SMALL_CLUSTER_MAXSIZE 2 /* size limitation on smaller cluster */
|
||||
#define SMALL_NP_MAXSIZE 2 /* limitation on number of partners of particle in smaller cluster */
|
||||
#define NOTSELECTED_CLUSTER_MAXSIZE 0 /* limit on size of clusters that can merge with non-selected cluster */
|
||||
#define REPAIR_CLUSTERS 0 /* set to 1 to repair alignment in clusters */
|
||||
@@ -515,6 +532,7 @@
|
||||
#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 0.25 /* vertical scale of plot of obstacle speeds */
|
||||
#define PLOT_CURRENTS 0 /* set to 1 to make current vs E field plot */
|
||||
|
||||
#define EHRENFEST_COPY 0 /* set to 1 to add equal number of larger particles (for Ehrenfest model) */
|
||||
|
||||
@@ -530,21 +548,21 @@
|
||||
#define PROP_MIN 0.1 /* min proportion of type 1 particles */
|
||||
#define PROP_MAX 0.9 /* max proportion of type 1 particles */
|
||||
|
||||
#define PAIR_PARTICLES 0 /* set to 1 to form particles pairs */
|
||||
#define PAIR_PARTICLES 1 /* set to 1 to form particles pairs */
|
||||
#define RANDOMIZE_ANGLE 0 /* set to 1 for random orientation */
|
||||
#define DEACIVATE_CLOSE_PAIRS 1 /* set to 1 to test for closeness to other particles */
|
||||
#define DEACIVATE_CLOSE_PAIRS 0 /* set to 1 to test for closeness to other particles */
|
||||
#define PAIR_SAFETY_FACTOR 1.2 /* distance to deactivate divided by sum of radii */
|
||||
#define THIRD_TYPE_PROPORTION 1.0 /* proportion of third type pairings, for certain pairing types */
|
||||
|
||||
#define KSPRING_PAIRS 5.0e10 /* spring constant for pair interaction */
|
||||
#define KSPRING_PAIRS 5.0e9 /* spring constant for pair interaction */
|
||||
#define KTORQUE_PAIRS 1.0e10 /* constant for angular coupling in pair interaction */
|
||||
#define KTORQUE_PAIR_ANGLE 0.0 /* constant for coupling between orientation in pairs */
|
||||
#define NPARTNERS 4 /* number of partners of particles - for DNA, set NPARTNERS_DNA */
|
||||
#define NPARTNERS 1 /* number of partners of particles - for DNA, set NPARTNERS_DNA */
|
||||
#define NPARTNERS_DNA 8 /* number of partners of particles, case of DNA, should be at least 8 */
|
||||
#define NARMS 5 /* number of "arms" for certain paring types */
|
||||
#define PAIRING_TYPE 9 /* type of pairing, see POLY_ in global_ljones.c */
|
||||
#define PAIRING_TYPE 99 /* type of pairing, see POLY_ in global_ljones.c */
|
||||
#define PARTNER_ANGLE 104.45 /* angle (in degrees) between ions for POLY_WATER case */
|
||||
#define PAIR_DRATIO 1.1 /* ratio between equilibrium distance and radius (default: 1.0) */
|
||||
#define PAIR_DRATIO 1.0 /* ratio between equilibrium distance and radius (default: 1.0) */
|
||||
#define MU_C 0.035 /* radius of partner particle */
|
||||
#define PARTICLE_MASS_C 2.0 /* mass or partner particle */
|
||||
#define CHARGE_C 1.0 /* charge of partner particle */
|
||||
@@ -553,7 +571,7 @@
|
||||
#define SECONDARY_PAIRING 0 /* set to 1 to pair with secondary partners, experimental */
|
||||
#define DNA_RIGIDITY 0.5 /* controls rigidity for POLY_DNA_DOUBLE pairs, default = 1 */
|
||||
|
||||
#define PAIR_TYPEB_PARTICLES 1 /* set to 1 to pair particle of type 1 */
|
||||
#define PAIR_TYPEB_PARTICLES 0 /* set to 1 to pair particle of type 1 */
|
||||
#define NPARTNERS_B 5 /* number of partners of particles */
|
||||
#define NARMS_B 1 /* number of "arms" for certain paring types */
|
||||
#define PAIRING_TYPE_B 81 /* type of pairing, see POLY_ in global_ljones.c */
|
||||
@@ -591,7 +609,7 @@
|
||||
#define COMPUTE_EMEAN ((PLOT == P_EMEAN)||(PLOT_B == P_EMEAN)||(PLOT == P_LOG_EMEAN)||(PLOT_B == P_LOG_EMEAN)||(PLOT == P_DIRECT_EMEAN)||(PLOT_B == P_DIRECT_EMEAN)||(PLOT == P_EMEAN_DENSITY)||(PLOT_B == P_EMEAN_DENSITY))
|
||||
#define COMPUTE_DIRMEAN ((PLOT == P_DIRECT_EMEAN)||(PLOT_B == P_DIRECT_EMEAN))
|
||||
#define COUNT_PARTNER_TYPE ((RD_REACTION == CHEM_H2O_H_OH)||(RD_REACTION == CHEM_2H2O_H3O_OH))
|
||||
#define PAIR_FORCE ((PAIR_PARTICLES)||((REACTION_DIFFUSION)&&((RD_REACTION == CHEM_AGGREGATION)||(RD_REACTION == CHEM_AGGREGATION_CHARGE)||(RD_REACTION == CHEM_AGGREGATION_NNEIGH)||(RD_REACTION == CHEM_POLYGON_AGGREGATION))))
|
||||
#define PAIR_FORCE ((PAIR_PARTICLES)||((REACTION_DIFFUSION)&&((RD_REACTION == CHEM_AGGREGATION)||(RD_REACTION == CHEM_AGGREGATION_CHARGE)||(RD_REACTION == CHEM_AGGREGATION_CHARGE_NOTRIANGLE)||(RD_REACTION == CHEM_AGGREGATION_NNEIGH)||(RD_REACTION == CHEM_POLYGON_AGGREGATION))))
|
||||
#define COMPUTE_PAIR_TORQUE (KTORQUE_PAIR_ANGLE != 0.0)
|
||||
#define ADD_CONVEYOR_FORCE ((ADD_FIXED_SEGMENTS)&&((SEGMENT_PATTERN == S_CONVEYOR_BELT)||(SEGMENT_PATTERN == S_TWO_CONVEYOR_BELTS)||(SEGMENT_PATTERN == S_PERIODIC_CONVEYORS)||(SEGMENT_PATTERN == S_TEST_CONVEYORS)||(SEGMENT_PATTERN == S_CONVEYOR_SHOVELS)||(SEGMENT_PATTERN == S_CONVEYOR_MIXED)||(SEGMENT_PATTERN == S_CONVEYOR_SIEVE)||(SEGMENT_PATTERN == S_CONVEYOR_SIEVE_B)||(SEGMENT_PATTERN == S_CONVEYOR_SIEVE_LONG)||(SEGMENT_PATTERN == S_CONVEYORS_1400)))
|
||||
#define MOVE_CONVEYOR_BELT ((ADD_FIXED_SEGMENTS)&&((SEGMENT_PATTERN == S_CONVEYOR_SHOVELS)||(SEGMENT_PATTERN == S_CONVEYOR_MIXED)||(SEGMENT_PATTERN == S_CONVEYOR_SIEVE_LONG)||(SEGMENT_PATTERN == S_CONVEYORS_1400)))
|
||||
@@ -647,22 +665,6 @@ double repel_schedule(int i)
|
||||
}
|
||||
|
||||
|
||||
double efield_schedule(int i)
|
||||
{
|
||||
static double efactor;
|
||||
static int first = 1;
|
||||
double efield;
|
||||
|
||||
if (first)
|
||||
{
|
||||
efactor = EFIELD_FACTOR/(double)(NSTEPS);
|
||||
first = 0;
|
||||
}
|
||||
if (i < INITIAL_TIME) efield = EFIELD;
|
||||
else efield = EFIELD*(double)(i-INITIAL_TIME)*efactor;
|
||||
printf("E = %.3lg\n", efield);
|
||||
return(efield);
|
||||
}
|
||||
|
||||
|
||||
double bfield_schedule(int i)
|
||||
@@ -1141,7 +1143,7 @@ double evolve_particles(t_particle particle[NMAXCIRCLES], t_obstacle obstacle[NM
|
||||
// particle[j].vy = py[j] + 0.5*DT_PARTICLE*particle[j].fy;
|
||||
// particle[j].omega = pangle[j] + 0.5*DT_PARTICLE*particle[j].torque;
|
||||
|
||||
/* TO DO: move this to function wrap_particle */
|
||||
/* TO DO: move this to function wrap_particle ? */
|
||||
if ((BOUNDARY_COND == BC_PERIODIC_CIRCLE)||(BOUNDARY_COND == BC_PERIODIC_FUNNEL)||(BOUNDARY_COND == BC_PERIODIC_TRIANGLE))
|
||||
{
|
||||
// if (particle[j].xc < BCXMIN)
|
||||
@@ -1184,18 +1186,24 @@ double evolve_particles(t_particle particle[NMAXCIRCLES], t_obstacle obstacle[NM
|
||||
}
|
||||
|
||||
double evolve_clusters(t_particle particle[NMAXCIRCLES], t_cluster cluster[NMAXCIRCLES],
|
||||
t_molecule molecule[NMAXCIRCLES],
|
||||
t_obstacle obstacle[NMAXOBSTACLES],
|
||||
t_hashgrid hashgrid[HASHX*HASHY],
|
||||
double cqx[NMAXCIRCLES], double cqy[NMAXCIRCLES], double cqangle[NMAXCIRCLES],
|
||||
double cpx[NMAXCIRCLES], double cpy[NMAXCIRCLES], double cpangle[NMAXCIRCLES],
|
||||
double px[NMAXCIRCLES], double py[NMAXCIRCLES],
|
||||
double beta, int *nactive, int *nsuccess, int *nmove, int *ncoupled, int initial_phase, int verbose)
|
||||
{
|
||||
double a, totalenergy = 0.0, damping, direction, dmean, newx, newy, newangle, deltax, deltay, deltaangle;
|
||||
static double b = 0.25*SIGMA*SIGMA*DT_PARTICLE/MU_XI, xi = 0.0;
|
||||
int j, move, ncoup;
|
||||
int j, k, move, ncoup, mol, cl;
|
||||
short int moved[NMAXCIRCLES];
|
||||
|
||||
if (initial_phase) damping = INITIAL_DAMPING;
|
||||
else damping = DAMPING;
|
||||
|
||||
// printf("1-Cluster 110 is at (%.5lg, %.5lg)\n", cluster[110].xg, cluster[110].yg);
|
||||
|
||||
#pragma omp parallel for private(j,xi,totalenergy,a,move)
|
||||
for (j=0; j<ncircles; j++) if (cluster[j].active)
|
||||
{
|
||||
@@ -1209,6 +1217,8 @@ double evolve_clusters(t_particle particle[NMAXCIRCLES], t_cluster cluster[NMAXC
|
||||
|
||||
cluster[j].energy = (cpx[j]*cpx[j] + cpy[j]*cpy[j])*cluster[j].mass_inv;
|
||||
|
||||
// if (j == 110) printf("2-Cluster 110 is at (%.3lg, %.3lg)\n", cluster[110].xg, cluster[110].yg);
|
||||
|
||||
if (COMPUTE_EMEAN)
|
||||
cluster[j].emean = ERATIO*cluster[j].emean + (1.0-ERATIO)*cluster[j].energy;
|
||||
|
||||
@@ -1221,6 +1231,11 @@ double evolve_clusters(t_particle particle[NMAXCIRCLES], t_cluster cluster[NMAXC
|
||||
cluster[j].dirmean = DRATIO*dmean + (1.0-DRATIO)*direction;
|
||||
if (cluster[j].dirmean < 0.0) cluster[j].dirmean += DPI;
|
||||
else if (cluster[j].dirmean > DPI) cluster[j].dirmean -= DPI;
|
||||
|
||||
// printf("dirmean = %.3lg\n", cluster[j].dirmean);
|
||||
|
||||
for (k=0; k<cluster[j].nparticles; k++)
|
||||
particle[cluster[j].particle[k]].dirmean = cluster[j].dirmean;
|
||||
}
|
||||
|
||||
if ((COUPLE_ANGLE_TO_THERMOSTAT)&&(cluster[j].thermostat))
|
||||
@@ -1283,13 +1298,23 @@ double evolve_clusters(t_particle particle[NMAXCIRCLES], t_cluster cluster[NMAXC
|
||||
newy = cqy[j] + 0.5*DT_PARTICLE*cpy[j]*cluster[j].mass_inv;
|
||||
newangle = cqangle[j] + 0.5*DT_PARTICLE*cpangle[j]*cluster[j].inertia_moment_inv;
|
||||
|
||||
// if (j == 110)
|
||||
// {
|
||||
// printf("3-Cluster 110 is at (%.5lg, %.5lg)\n", cluster[110].xg, cluster[110].yg);
|
||||
// printf("newy = %.3lg\n", newy);
|
||||
// }
|
||||
deltax = newx - cluster[j].xg;
|
||||
deltay = newy - cluster[j].yg;
|
||||
deltaangle = newangle - cluster[j].angle;
|
||||
|
||||
// if (j == 110) printf("deltay = %.5lg\n", deltay);
|
||||
|
||||
// translate_cluster(j, cluster, particle, deltax, deltay, 0);
|
||||
// rotate_cluster(j, cluster, particle, deltaangle);
|
||||
translate_and_rotate_cluster(j, cluster, particle, deltax, deltay, deltaangle);
|
||||
translate_and_rotate_cluster(j, cluster, particle, deltax, deltay, deltaangle, 1, 0);
|
||||
// translate_molecule(j, molecule, particle, deltax, deltay);
|
||||
|
||||
// if (j == 110) printf("4-Cluster 110 is at (%.5lg, %.5lg)\n", cluster[110].xg, cluster[110].yg);
|
||||
|
||||
// cluster[j].vx = cpx[j] + 0.5*DT_PARTICLE*cluster[j].fx;
|
||||
// cluster[j].vy = cpy[j] + 0.5*DT_PARTICLE*cluster[j].fy;
|
||||
@@ -1308,7 +1333,16 @@ double evolve_clusters(t_particle particle[NMAXCIRCLES], t_cluster cluster[NMAXC
|
||||
}
|
||||
|
||||
// sleep(1);
|
||||
|
||||
/* TODO: adapt to other boundary conditions */
|
||||
|
||||
// if (BOUNDARY_COND == BC_PERIODIC)
|
||||
move = wrap_particles(particle, molecule, cluster);
|
||||
if (move > 0)
|
||||
{
|
||||
compute_relative_positions(particle, hashgrid);
|
||||
update_hashgrid(particle, obstacle, hashgrid, 0); /* REDUNDANT ? */
|
||||
}
|
||||
*ncoupled = ncoup;
|
||||
return(totalenergy);
|
||||
}
|
||||
@@ -1613,7 +1647,7 @@ void evolve_obstacles(t_obstacle obstacle[NMAXOBSTACLES])
|
||||
/* evolve obstacles, for option OSCILLATE_OBSTACLES */
|
||||
{
|
||||
int i, j, n, m;
|
||||
double dist, accel, ekin, epot, etot;
|
||||
double dist, accel, ekin, epot, etot, shiftx, shifty;
|
||||
|
||||
// printf("Evolving %i obstacles\n", nobstacles);
|
||||
/* Verlet scheme */
|
||||
@@ -1631,7 +1665,9 @@ void evolve_obstacles(t_obstacle obstacle[NMAXOBSTACLES])
|
||||
{
|
||||
m = obstacle[i].neighb[j];
|
||||
// printf("Neighbour %i is number %i\n", j, m);
|
||||
dist = module2(obstacle[i].xc - obstacle[m].xc, obstacle[i].yc - obstacle[m].yc);
|
||||
shiftx = -(XMAX-XMIN)*(double)obstacle[i].shiftx[j];
|
||||
shifty = -(YMAX-YMIN)*(double)obstacle[i].shifty[j];
|
||||
dist = module2(obstacle[i].xc - obstacle[m].xc - shiftx, obstacle[i].yc - obstacle[m].yc - shifty);
|
||||
/* test */
|
||||
// if (dist > 4.0*OBSTACLE_COUPLING_DIST) dist = 4.0*OBSTACLE_COUPLING_DIST;
|
||||
if (dist > 5.0*obstacle[i].eqdist[j]) dist = 5.0*obstacle[i].eqdist[j];
|
||||
@@ -1654,6 +1690,12 @@ void evolve_obstacles(t_obstacle obstacle[NMAXOBSTACLES])
|
||||
obstacle[i].vy -= DT_PARTICLE*KSPRING_OBSTACLE_OSC*(obstacle[i].yc - obstacle[i].yc0)/obstacle[i].mass;
|
||||
obstacle[i].energy += KSPRING_OBSTACLE_OSC*((obstacle[i].xc - obstacle[i].xc0)*(obstacle[i].xc - obstacle[i].xc0) + (obstacle[i].yc - obstacle[i].yc0)*(obstacle[i].yc - obstacle[i].yc0));
|
||||
}
|
||||
|
||||
if ((OBSTACLE_DAMPING > 0.0)&&(obstacle[i].damped))
|
||||
{
|
||||
obstacle[i].vx *= exp(- DT_PARTICLE*OBSTACLE_DAMPING);
|
||||
obstacle[i].vy *= exp(- DT_PARTICLE*OBSTACLE_DAMPING);
|
||||
}
|
||||
}
|
||||
for (i = 0; i < nobstacles; i++)
|
||||
{
|
||||
@@ -1683,6 +1725,8 @@ void evolve_obstacles(t_obstacle obstacle[NMAXOBSTACLES])
|
||||
obstacle[i].energy = etot;
|
||||
}
|
||||
}
|
||||
|
||||
/* TODO: wrap obstacles */
|
||||
// printf("Evolved %i obstacles\n", nobstacles);
|
||||
}
|
||||
|
||||
@@ -1690,7 +1734,7 @@ void animation()
|
||||
{
|
||||
double time, scale, diss, rgb[3], dissip, gradient[2], x, y, dx, dy, dt, xleft, xright,
|
||||
a, b, length, fx, fy, force[2], totalenergy = 0.0, pos[2], prop, vx, xi = 0.0, torque, torque_ij, pleft = 0.0, pright = 0.0, entropy[2], speed_ratio, xmin, xmax, ymin, ymax, delta_energy, speed, ratio = 1.0, ratioc, cum_etot = 0.0, emean = 0.0, radius_ratio, t, angle, theta, sum, alpha, bfield, track_x0, track_y0, efield, efieldy;
|
||||
double *qx, *qy, *px, *py, *qangle, *pangle, *pressure, *obstacle_speeds;
|
||||
double *qx, *qy, *px, *py, *qangle, *pangle, *pressure, *obstacle_speeds, *currents;
|
||||
double *cqx, *cqy, *cpx, *cpy, *cqangle, *cpangle;
|
||||
int i, j, k, n, m, s, ij[2], i0, iplus, iminus, j0, jplus, jminus, p, q, p1, q1, p2, q2, total_neighbours = 0, cl,
|
||||
min_nb, max_nb, close, wrapx = 0, wrapy = 0, nadd_particle = 0, nmove = 0, nsuccess = 0,
|
||||
@@ -1816,7 +1860,8 @@ void animation()
|
||||
if (PLOT_SPEEDS) obstacle_speeds = (double *)malloc(2*ngroups*(INITIAL_TIME + NSTEPS)*sizeof(double));
|
||||
if (PLOT_PARTICLE_NUMBER)
|
||||
particle_numbers = (int *)malloc((NSTEPS+1)*(RD_TYPES+1)*sizeof(int));
|
||||
|
||||
if (PLOT_CURRENTS)
|
||||
currents = (double *)malloc((INITIAL_TIME + NSTEPS)*sizeof(double));
|
||||
|
||||
|
||||
printf("Initializing configuration\n");
|
||||
@@ -1824,6 +1869,7 @@ void animation()
|
||||
params.nactive = initialize_configuration(particle, hashgrid, obstacle, px, py, pangle, tracer_n, segment, molecule);
|
||||
|
||||
printf("%i active particles\n", params.nactive);
|
||||
printf("%i tracers\n", n_tracers);
|
||||
|
||||
if (CLUSTER_PARTICLES) init_cluster_config(particle, cluster);
|
||||
|
||||
@@ -1856,7 +1902,7 @@ void animation()
|
||||
|
||||
if (INCREASE_KREPEL) params.krepel = repel_schedule(i);
|
||||
if (INCREASE_BETA) params.beta = temperature_schedule(i);
|
||||
if (INCREASE_E) params.efield = efield_schedule(i);
|
||||
if ((INCREASE_E)||(OSCILLATE_E)) params.efield = efield_schedule(i);
|
||||
else params.efield = EFIELD;
|
||||
if (INCREASE_B) params.bfield = bfield_schedule(i);
|
||||
else params.bfield = BFIELD;
|
||||
@@ -2072,7 +2118,8 @@ void animation()
|
||||
/* add electric force */
|
||||
if (ADD_EFIELD)
|
||||
{
|
||||
if (INCREASE_E) particle[j].fx += params.efield*particle[j].charge;
|
||||
if ((INCREASE_E)||(OSCILLATE_E))
|
||||
particle[j].fx += params.efield*particle[j].charge;
|
||||
else
|
||||
{
|
||||
efield = EFIELD;
|
||||
@@ -2120,7 +2167,7 @@ void animation()
|
||||
/* timestep of thermostat algorithm */
|
||||
if (CLUSTER_PARTICLES)
|
||||
{
|
||||
totalenergy = evolve_clusters(particle, cluster, hashgrid, cqx, cqy, cqangle, cpx, cpy, cpangle, params.beta, ¶ms.nactive, &nsuccess, &nmove, &ncoupled, i < INITIAL_TIME, n == 0);
|
||||
totalenergy = evolve_clusters(particle, cluster, molecule, obstacle, hashgrid, cqx, cqy, cqangle, cpx, cpy, cpangle, px, py, params.beta, ¶ms.nactive, &nsuccess, &nmove, &ncoupled, i < INITIAL_TIME, n == 0);
|
||||
|
||||
/* FIXME: update particle data */
|
||||
for (j=0; j<ncircles; j++)
|
||||
@@ -2345,7 +2392,7 @@ void animation()
|
||||
|
||||
blank();
|
||||
/* case of reaction-diffusion equation */
|
||||
if ((i > INITIAL_TIME)&&(REACTION_DIFFUSION))
|
||||
if ((i > INITIAL_TIME)&&(REACTION_DIFFUSION)&&(i < REACTION_MAX_TIME))
|
||||
{
|
||||
ncollisions = update_types(particle, molecule, cluster, collisions, ncollisions, particle_numbers, i - INITIAL_TIME - 1, &delta_energy);
|
||||
if (EXOTHERMIC) params.beta *= 1.0/(1.0 + delta_energy/totalenergy);
|
||||
@@ -2383,7 +2430,7 @@ void animation()
|
||||
nadd_particle = add_particles(particle, px, py, nadd_particle, 7, molecule, tracer_n);
|
||||
}
|
||||
else for (k=0; k<N_ADD_PARTICLES; k++)
|
||||
nadd_particle = add_particles(particle, px, py, nadd_particle, 0, molecule, tracer_n);
|
||||
nadd_particle = add_particles(particle, px, py, nadd_particle, 3, molecule, tracer_n);
|
||||
// params.nactive = nadd_particle;
|
||||
params.nactive = 0;
|
||||
for (j=0; j<ncircles; j++) if (particle[j].active)
|
||||
@@ -2415,6 +2462,12 @@ void animation()
|
||||
print_entropy(entropy);
|
||||
}
|
||||
|
||||
if (PRINT_CURRENT)
|
||||
{
|
||||
params.current = compute_current(particle);
|
||||
if (PLOT_CURRENTS) currents[i] = params.current;
|
||||
}
|
||||
|
||||
/* these should be moved to draw_frame */
|
||||
if (PRINT_SEGMENTS_SPEEDS)
|
||||
{
|
||||
@@ -2426,7 +2479,7 @@ void animation()
|
||||
count_particle_number(particle, particle_numbers, i - INITIAL_TIME);
|
||||
|
||||
draw_frame(i, PLOT, BG_COLOR, ncollisions, traj_position, traj_length,
|
||||
wall, pressure, pleft, pright, particle_numbers, 1, params, particle, cluster,
|
||||
wall, pressure, pleft, pright, currents, particle_numbers, 1, params, particle, cluster,
|
||||
collisions, hashgrid, trajectory, obstacle, segment, group_speeds, segment_group, conveyor_belt, tracer_n, otriangle, ofacet);
|
||||
|
||||
if (!((NO_EXTRA_BUFFER_SWAP)&&(MOVIE))) glutSwapBuffers();
|
||||
@@ -2458,7 +2511,7 @@ void animation()
|
||||
if ((i >= INITIAL_TIME)&&(DOUBLE_MOVIE))
|
||||
{
|
||||
draw_frame(i, PLOT_B, BG_COLOR_B, ncollisions, traj_position, traj_length,
|
||||
wall, pressure, pleft, pright, particle_numbers, 0, params, particle, cluster,
|
||||
wall, pressure, pleft, pright, currents, particle_numbers, 0, params, particle, cluster,
|
||||
collisions, hashgrid, trajectory, obstacle, segment, group_speeds, segment_group, conveyor_belt, tracer_n, otriangle, ofacet);
|
||||
glutSwapBuffers();
|
||||
save_frame_lj_counter(NSTEPS + MID_FRAMES + 1 + counter);
|
||||
@@ -2499,7 +2552,7 @@ void animation()
|
||||
{
|
||||
blank();
|
||||
draw_frame(NSTEPS, PLOT, BG_COLOR, ncollisions, traj_position, traj_length,
|
||||
wall, pressure, pleft, pright, particle_numbers, 0, params, particle, cluster,
|
||||
wall, pressure, pleft, pright, currents, particle_numbers, 0, params, particle, cluster,
|
||||
collisions, hashgrid, trajectory, obstacle, segment, group_speeds, segment_group, conveyor_belt, tracer_n, otriangle, ofacet);
|
||||
}
|
||||
if (DOUBLE_MOVIE) for (i=0; i<MID_FRAMES; i++)
|
||||
@@ -2511,7 +2564,7 @@ void animation()
|
||||
if (DOUBLE_MOVIE)
|
||||
{
|
||||
draw_frame(NSTEPS, PLOT_B, BG_COLOR_B, ncollisions, traj_position, traj_length,
|
||||
wall, pressure, pleft, pright, particle_numbers, 0, params, particle, cluster,
|
||||
wall, pressure, pleft, pright, currents, particle_numbers, 0, params, particle, cluster,
|
||||
collisions, hashgrid, trajectory, obstacle, segment, group_speeds, segment_group, conveyor_belt, tracer_n, otriangle, ofacet);
|
||||
if (!((NO_EXTRA_BUFFER_SWAP)&&(MOVIE))) glutSwapBuffers();
|
||||
}
|
||||
@@ -2554,6 +2607,7 @@ void animation()
|
||||
// printf("7\n");
|
||||
if (PLOT_PARTICLE_NUMBER) free(particle_numbers);
|
||||
// printf("8\n");
|
||||
if (PLOT_CURRENTS) free(currents);
|
||||
free(hashgrid);
|
||||
// printf("9\n");
|
||||
free(qx);
|
||||
|
||||
Reference in New Issue
Block a user