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This commit is contained in:
Nils Berglund
2026-04-11 16:12:23 +02:00
committed by GitHub
parent 77e9c16fd0
commit 96f1e1760f
13 changed files with 1743 additions and 277 deletions
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lennardjones.c
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@@ -58,18 +58,18 @@
#define YMIN 0.0
#define YMAX 3.141592654 /* y interval for 9/16 aspect ratio */
#define INITXMIN 2.95
#define INITXMAX 3.4 /* x interval for initial condition */
#define INITYMIN 1.37
#define INITYMAX 1.77 /* y interval for initial condition */
#define INITXMIN 0.0
#define INITXMAX 6.28 /* x interval for initial condition */
#define INITYMIN 0.0
#define INITYMAX 3.14 /* y interval for initial condition */
#define THERMOXMIN -1.25
#define THERMOXMAX 1.25 /* x interval for initial condition */
#define THERMOYMIN 0.0
#define THERMOYMAX 0.75 /* y interval for initial condition */
#define ADDXMIN 0.0
#define ADDXMAX 0.1 /* x interval for adding particles */
#define ADDXMIN 0.1
#define ADDXMAX 0.2 /* x interval for adding particles */
#define ADDYMIN 1.57
#define ADDYMAX 1.57 /* y interval for adding particles */
#define ADDRMIN 2.0
@@ -85,7 +85,7 @@
#define OBSYMIN -1.125
#define OBSYMAX 1.125 /* x interval for motion of obstacle */
#define CIRCLE_PATTERN 20 /* pattern of circles, see list in global_ljones.c */
#define CIRCLE_PATTERN 81 /* pattern of circles, see list in global_ljones.c */
#define ADD_INITIAL_PARTICLES 0 /* set to 1 to add a second type of particles */
#define CIRCLE_PATTERN_B 0 /* pattern of circles for additional particles */
@@ -108,7 +108,7 @@
#define COUPLE_MINLENGTH 0.5 /* length at which bonds decouple */
#define ADD_FIXED_SEGMENTS 0 /* set to 1 to add fixed segments as obstacles */
#define SEGMENT_PATTERN 100 /* pattern of repelling segments, see list in global_ljones.c */
#define SEGMENT_PATTERN 111 /* pattern of repelling segments, see list in global_ljones.c */
#define ROCKET_SHAPE 3 /* shape of rocket combustion chamber, see list in global_ljones.c */
#define ROCKET_SHAPE_B 3 /* shape of second rocket */
#define NOZZLE_SHAPE 6 /* shape of nozzle, see list in global_ljones.c */
@@ -126,21 +126,21 @@
#define CENTER_PY 0 /* set to 1 to center vertical momentum */
#define CENTER_PANGLE 0 /* set to 1 to center angular momentum */
#define INTERACTION 1 /* particle interaction, see list in global_ljones.c */
#define INTERACTION_B 1 /* particle interaction for second type of particle, see list in global_ljones.c */
#define INTERACTION 1 /* particle interaction, see list in global_ljones.c */
#define INTERACTION_B 1 /* particle interaction for second type of particle, see list in global_ljones.c */
#define SPIN_INTER_FREQUENCY 4.0 /* angular frequency of spin-spin interaction */
#define SPIN_INTER_FREQUENCY_B 4.0 /* angular frequency of spin-spin interaction for second particle type */
#define MOL_ANGLE_FACTOR 1.0 /* rotation angle for P_MOL_ANGLE color scheme */
#define P_PERCOL 0.25 /* probability of having a circle in C_RAND_PERCOL arrangement */
#define NPOISSON 100 /* number of points for Poisson C_RAND_POISSON arrangement */
#define PDISC_DISTANCE 5.0 /* minimal distance in Poisson disc process, controls density of particles */
#define PDISC_DISTANCE 1.8 /* minimal distance in Poisson disc process, controls density of particles */
#define PDISC_CANDIDATES 100 /* number of candidates in construction of Poisson disc process */
#define RANDOM_POLY_ANGLE 0 /* set to 1 to randomize angle of polygons */
#define LAMBDA 0.2 /* parameter controlling the dimensions of domain */
#define MU 0.02 /* parameter controlling radius of particles */
#define MU_B 0.02 /* parameter controlling radius of particles of second type */
#define MU 0.018 /* parameter controlling radius of particles */
#define MU_B 0.018 /* parameter controlling radius of particles of second type */
#define MU_ADD 0.022 /* parameter controlling radius of added particles */
#define MU_ADD_B 0.022 /* parameter controlling radius of added particles */
#define NPOLY 3 /* number of sides of polygon */
@@ -171,7 +171,7 @@
/* Parameters for length and speed of simulation */
#define NSTEPS 3800 /* number of frames of movie */
#define NSTEPS 1750 /* number of frames of movie */
#define NVID 100 /* number of iterations between images displayed on screen */
#define NSEG 25 /* number of segments of boundary of circles */
#define INITIAL_TIME 0 /* time after which to start saving frames */
@@ -193,15 +193,17 @@
/* Plot type, see list in global_ljones.c */
#define PLOT 13
#define PLOT 14
#define PLOT_B 13 /* plot type for second movie */
/* Background color depending on particle properties */
#define COLOR_BACKGROUND 0 /* set to 1 to color background */
#define BG_COLOR 1 /* type of background coloring, see list in global_ljones.c */
#define BG_COLOR 2 /* type of background coloring, see list in global_ljones.c */
#define BG_COLOR_B 3 /* type of background coloring, see list in global_ljones.c */
#define OBSTACLE_COLOR 0 /* type of obstacle, see OC_ in global_ljones.c */
#define SHADE_BG_COLOR_2D 1 /* set to 1 to shade BG color, for option BG_POTENTIAL */
#define SHADE_SCALE_BG_2D 0.1 /* controls 2D shading */
#define DRAW_BONDS 0 /* set to 1 to draw bonds between neighbours */
#define COLOR_BONDS 1 /* set to 1 to color bonds according to length */
@@ -212,7 +214,7 @@
#define ALTITUDE_LINES 0 /* set to 1 to add horizontal lines to show altitude */
#define COLOR_SEG_GROUPS 0 /* set to 1 to collor segment groups differently */
#define N_PARTICLE_COLORS 5 /* number of colors for P_NUMBER color scheme */
#define INITIAL_POS_TYPE 0 /* type of initial position dependence */
#define INITIAL_POS_TYPE 1 /* type of initial position dependence */
#define ERATIO 0.995 /* ratio for time-averaging in P_EMEAN color scheme */
#define DRATIO 0.999 /* ratio for time-averaging in P_DIRECT_EMEAN color scheme */
#define OBSTACLE_AREA_SHADE_FACTOR 75.0 /* controls sensitivity of triangle shade for option FILL_OBSTACLE_TRIANGLES */
@@ -222,7 +224,7 @@
#define COLOR_PALETTE 10 /* Color palette, see list in global_ljones.c */
#define COLOR_PALETTE_EKIN 10 /* Color palette for kinetic energy */
#define COLOR_PALETTE_ANGLE 0 /* Color palette for angle representation */
#define COLOR_PALETTE_ANGLE 17 /* Color palette for angle representation */
#define COLOR_PALETTE_DIRECTION 0 /* Color palette for direction representation */
#define COLOR_PALETTE_INITIAL_POS 10 /* Color palette for initial position representation */
#define COLOR_PALETTE_DIFFNEIGH 10 /* Color palette for different neighbours representation */
@@ -262,17 +264,17 @@
#define PRINT_SEGMENTS_FORCE 0 /* set to 1 to print force on segments */
#define PRINT_NPARTICLES 0 /* print number of active particles */
#define PRINT_TYPE_PROP 0 /* print type proportion */
#define PRINT_NABSORBED 1 /* print number of absorbed particles */
#define PRINT_NABSORBED 0 /* print number of absorbed particles */
#define FORCE_FACTOR 0.1 /* factor controlling length of force vector */
/* particle properties */
#define ENERGY_HUE_MIN 330.0 /* color of original particle */
#define ENERGY_HUE_MIN 350.0 /* color of original particle */
#define ENERGY_HUE_MAX 50.0 /* color of saturated particle */
#define PARTICLE_HUE_MIN 359.0 /* color of original particle */
#define PARTICLE_HUE_MAX 0.0 /* color of saturated particle */
#define PARTICLE_EMIN 0.0 /* energy of particle with coolest color */
#define PARTICLE_EMAX 250000.0 /* energy of particle with hottest color */
#define PARTICLE_EMAX 4000.0 /* energy of particle with hottest color */
#define PARTICLE_DMIN 200.0 /* energy of particle with largest local density */
#define PARTICLE_DMAX 500.0 /* energy of particle with largest local density */
#define SEGMENT_HUE_MIN 275.0 /* color of original segment */
@@ -280,7 +282,7 @@
#define OBSTACLE_EMAX 1000000.0 /* energy of obstacle with hottest color */
#define OBSTACLE_VMAX 4.0 /* speed of obstacle with largest luminosity */
#define HUE_TYPE0 320.0 /* hue of particles of type 0 */
#define HUE_TYPE1 60.0 /* hue of particles of type 1 */
#define HUE_TYPE1 40.0 /* hue of particles of type 1 */
#define HUE_TYPE2 100.0 /* hue of particles of type 2 */
#define HUE_TYPE3 140.0 /* hue of particles of type 3 */
#define HUE_TYPE4 180.0 /* hue of particles of type 4 */
@@ -291,6 +293,7 @@
#define BG_LOG_EKIN_SHIFT 1.0 /* constant in BG_LOG_EKIN background color scheme */
#define BG_FORCE_SLOPE 1.0e-6 /* constant in BG_FORCE backgound color scheme */
#define BG_CHARGE_SLOPE 1.0 /* constant in BG_CHARGE backgound color scheme (default: 0.5) */
#define BG_POTENTIAL_SLOPE 50.0 /* constant in BG_POTENTIAL background color scheme */
#define CHARGE_HUE_RANGE 0.5 /* range of charge colors */
#define PARTICLE_LMAX 1.5e4 /* angular momentum particle with brightest color */
@@ -300,14 +303,14 @@
#define ADAPT_MASS_TO_RADIUS 0 /* set to positive value to for mass prop to power of radius */
#define ADAPT_DAMPING_TO_RADIUS 0.0 /* set to positive value to for friction prop to power of radius */
#define ADAPT_DAMPING_FACTOR 0.0 /* factor by which damping is adapted to radius */
#define DT_PARTICLE 1.0e-6 /* time step for particle displacement */
#define DT_PARTICLE 2.0e-6 /* time step for particle displacement */
#define KREPEL 40.0 /* constant in repelling force between particles */
#define EQUILIBRIUM_DIST 2.5 /* Lennard-Jones equilibrium distance */
#define EQUILIBRIUM_DIST_B 2.5 /* Lennard-Jones equilibrium distance for second type of particle */
#define EQUILIBRIUM_DIST 3.5 /* Lennard-Jones equilibrium distance */
#define EQUILIBRIUM_DIST_B 4.5 /* Lennard-Jones equilibrium distance for second type of particle */
#define SEGMENT_FORCE_EQR 1.0 /* equilibrium distance factor for force from segments (default 1.5) */
#define REPEL_RADIUS 25.0 /* radius in which repelling force acts (in units of particle radius) */
#define DAMPING 0.0 /* damping coefficient of particles */
#define INITIAL_DAMPING 1000.0 /* damping coefficient of particles during initial phase */
#define DAMPING 25.0 /* damping coefficient of particles */
#define INITIAL_DAMPING 0.0 /* damping coefficient of particles during initial phase */
#define DAMPING_ROT 0.0 /* damping coefficient for rotation of particles */
#define DAMPING_PAIRS 0.0 /* damping between paired particles */
#define PARTICLE_MASS 2.0 /* mass of particle of radius MU */
@@ -316,39 +319,43 @@
#define PARTICLE_ADD_MASS_B 1.0 /* mass of added particles */
#define PARTICLE_INERTIA_MOMENT 0.1 /* moment of inertia of particle */
#define PARTICLE_INERTIA_MOMENT_B 0.1 /* moment of inertia of second type of particle */
#define V_INITIAL 0.0 /* initial velocity range */
#define V_INITIAL_ADD 5500.0 /* initial velocity range for added particles */
#define V_INITIAL 50.0 /* initial velocity range */
#define V_INITIAL_ADD 4500.0 /* initial velocity range for added particles */
#define OMEGA_INITIAL 100.0 /* initial angular velocity range */
#define VICSEK_VMIN 1.0 /* minimal speed of particles in Vicsek model */
#define VICSEK_VMAX 40.0 /* minimal speed of particles in Vicsek model */
#define COULOMB_LJ_FACTOR 1.0 /* relative intensity of LJ interaction in I_COULOMB_LJ interaction (default: 0.01) */
#define KCOULOMB_FACTOR 500.0 /* relative intensity of Coulomb interaction in I_COULOMB_LJ (default: 100.0) */
#define COULOMB_ALWAYS_REPEL 1 /* set to 1 to always repel with I_COULOMB_IMAGINARY */
#define OBSTACLE_DAMPING 0.0 /* damping of oscillating obstacles */
#define V_INITIAL_TYPE 0 /* type of initial speed distribution (see VI_ in global_ljones.c) */
#define THERMOSTAT 0 /* set to 1 to switch on thermostat */
#define THERMOSTAT 1 /* set to 1 to switch on thermostat */
#define VARY_THERMOSTAT 0 /* set to 1 for time-dependent thermostat schedule */
#define SIGMA 5.0 /* noise intensity in thermostat */
#define BETA 0.00005 /* initial inverse temperature */
#define BETA 0.002 /* initial inverse temperature */
#define MU_XI 0.005 /* friction constant in thermostat */
#define KSPRING_BOUNDARY 2.0e11 /* confining harmonic potential outside simulation region */
#define KSPRING_OBSTACLE 5.0e11 /* harmonic potential of obstacles */
#define NBH_DIST_FACTOR 6.0 /* radius in which to count neighbours */
#define NBH_DIST_FACTOR 6.0 /* radius in which to count neighbours */
#define BOND_DIST_FACTOR 6.0 /* radius in which to draw bonds */
#define GRAVITY 0.0 /* gravity acting on all particles */
#define GRAVITY_X 0.0 /* horizontal gravity acting on all particles */
#define CIRCULAR_GRAVITY 0 /* set to 1 to have gravity directed to center */
#define SPHERE_GRAVITY 0 /* set to 1 to have gravity at constant angle wrt sphere */
#define INCREASE_GRAVITY 0 /* set to 1 to increase gravity during the simulation */
#define GRAVITY_SCHEDULE 1 /* type of gravity schedule, see list in global_ljones.c */
#define GRAVITY_FACTOR 10.0 /* factor by which to increase gravity */
#define GRAVITY_INITIAL_TIME 250 /* time at start of simulation with constant gravity */
#define GRAVITY_RESTORE_TIME 500 /* time at end of simulation with gravity restored to initial value */
#define GRAVITY_FACTOR 2000.0 /* factor by which to increase gravity */
#define GRAVITY_INITIAL_TIME 100 /* time at start of simulation with constant gravity */
#define GRAVITY_RESTORE_TIME 750 /* time at end of simulation with gravity restored to initial value */
#define GRAVITY_INITIAL_ANGLE 0.0 /* initial angle for SPHERE_GRAVITY */
#define GRAVITY_DELTA_ANGLE 1440.0 /* increase of angle for SPHERE_GRAVITY */
#define KSPRING_VICSEK 0.2 /* spring constant for I_VICSEK_SPEED interaction */
#define VICSEK_REPULSION 10.0 /* repulsion between particles in Vicsek model */
#define ADD_EFIELD 0 /* set to 1 to add an electric field */
#define EFIELD 150000.0 /* value of electric field */
#define EFIELD 20000.0 /* value of electric field */
#define EFIELD_Y 0.0 /* value of electric field */
#define ADD_BFIELD 0 /* set to 1 to add a magnetic field */
#define BFIELD 20000.0 /* value of magnetic field */
@@ -359,7 +366,7 @@
#define INCREASE_E 0 /* set to 1 to increase electric field */
#define OSCILLATE_E 0 /* set to 1 for oscillating electric field */
#define E_PERIOD 1000 /* period of oscillating electric field */
#define EFIELD_FACTOR 180000.0 /* factor by which to increase electric field */
#define EFIELD_FACTOR 1000.0 /* factor by which to increase electric field */
#define INCREASE_B 0 /* set to 1 to increase magnetic field */
#define BFIELD_FACTOR 1000.0 /* factor by which to increase magnetic field */
#define CHARGE_OBSTACLES 1 /* set to 1 for obstacles to be charged */
@@ -382,6 +389,11 @@
#define WIND_FORCE 1.35e6 /* force of wind */
#define WIND_YMIN -0.6 /* min altitude of region with wind */
#define ROTATE_SPHERE 1 /* set to 1 to add Coriolis and centripetal force */
#define OMEGA_SPHERE 4.0 /* angular frequency of rotating sphere */
#define CHANGE_OMEGA_SPHERE 1 /* set to 1 to change sphere rotation frequency */
#define OMEGA_SPHERE_FACTOR 200.0 /* change factor of sphere rotation frequency */
#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 0.25 /* scaling factor taking into account number of degrees of freedom */
@@ -398,15 +410,15 @@
#define QUADRUPOLE_RATIO 0.6 /* anisotropy in quadrupole potential */
#define INCREASE_BETA 0 /* set to 1 to increase BETA during simulation */
#define BETA_SCHEDULE 0 /* type of temperature schedule, see TS_* in global_ljones */
#define BETA_FACTOR 50000.0 /* factor by which to change BETA during simulation */
#define BETA_SCHEDULE 3 /* type of temperature schedule, see TS_* in global_ljones */
#define BETA_FACTOR 0.002 /* factor by which to change BETA during simulation */
#define TS_SLOPE 8.5 /* controls speed of change of BETA for TS_TANH schedule (default 1.0) */
#define N_TOSCILLATIONS 1.0 /* number of temperature oscillations in BETA schedule */
#define NO_OSCILLATION 0 /* set to 1 to have exponential BETA change only */
#define INITIAL_CONSTANT_PHASE 200 /* initial phase in which temperature is constant */
#define MIDDLE_CONSTANT_PHASE 0 /* middle phase in which temperature is constant */
#define FINAL_DECREASE_PHASE 1 /* final phase in which temperature decreases */
#define FINAL_CONSTANT_PHASE 200 /* final phase in which temperature is constant */
#define FINAL_CONSTANT_PHASE 400 /* final phase in which temperature is constant */
#define DECREASE_CONTAINER_SIZE 0 /* set to 1 to decrease size of container */
#define SMOOTH_CONTAINER_DECREASE 1 /* set to 1 to decrease size smoothly at each simulation step */
@@ -429,10 +441,10 @@
#define N_T_AVERAGE 1 /* size of temperature averaging window */
#define MAX_PRESSURE 3.0e10 /* pressure shown in "hottest" color */
#define PARTIAL_THERMO_COUPLING 0 /* set to 1 to couple only some particles to thermostat */
#define PARTIAL_THERMO_REGION 9 /* region for partial thermostat coupling (see list in global_ljones.c) */
#define PARTIAL_THERMO_REGION 2 /* region for partial thermostat coupling (see list in global_ljones.c) */
#define PARTIAL_THERMO_SHIFT 0.2 /* distance from obstacle at the right of which particles are coupled to thermostat */
#define PARTIAL_THERMO_WIDTH 1.0 /* vertical size of partial thermostat coupling */
#define PARTIAL_THERMO_HEIGHT 0.0 /* vertical size of partial thermostat coupling */
#define PARTIAL_THERMO_WIDTH 0.3 /* vertical size of partial thermostat coupling */
#define PARTIAL_THERMO_HEIGHT 0.2 /* vertical size of partial thermostat coupling */
#define PARTIAL_THERMO_RIN 0.5 /* initial radius of region without coupling */
#define PARTIAL_THERMO_RFIN 1.3 /* final radius of region without coupling */
@@ -443,20 +455,20 @@
#define MASS_PART_BOTTOM 10000.0 /* mass of particles at bottom */
#define NPART_BOTTOM 100 /* number of particles at the bottom */
#define ADD_PARTICLES 1 /* set to 1 to add particles */
#define ADD_PARTICLES 0 /* set to 1 to add particles */
#define ADD_REGION 0 /* shape of add regions, cf ADD_* in global_ljones */
#define ADD_TIME 20 /* time at which to add first particle */
#define ADD_PERIOD 10000 /* time interval between adding further particles */
#define ADD_TYPE 1 /* type of added particles */
#define N_ADD_PARTICLES 1 /* number of particles to add */
#define FINAL_NOADD_PERIOD 1800 /* final period where no particles are added */
#define FINAL_NOADD_PERIOD 100 /* final period where no particles are added */
#define SAFETY_FACTOR 10.0 /* no particles are added at distance less than MU*SAFETY_FACTOR of other particles */
#define ADD_ALTERNATE_CHARGE 0 /* set to 1 to randomly select sign of added charge */
#define TIME_DEPENDENT_ADD_CHARGE 0 /* set to 1 to have added charge depend on time */
#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 1000 /* number of tracer particles */
#define TRACER_PARTICLE 0 /* set to 1 to have a tracer particle */
#define N_TRACER_PARTICLES 5500 /* number of tracer particles */
#define TRACER_STEPS 5 /* number of tracer steps recorded between images */
#define TRAJECTORY_LENGTH 7000 /* length of recorded trajectory */
#define TRAJECTORY_DRAW_LENGTH 1000 /* length of drawn trajectory */
@@ -506,10 +518,12 @@
#define TRACK_SEGMENT_GROUPS 0 /* set to 1 for view to track group of segments */
#define TRACK_X_PADDING 2.0 /* distance from x boundary where tracking starts */
#define POSITION_DEPENDENT_TYPE 0 /* set to 1 to make particle type depend on initial position */
#define POSITION_Y_DEPENDENCE 0 /* set to 1 for the separation between particles to be horizontal */
#define POSITION_DEPENDENT_TYPE 0 /* set to PDIC_* to make particle type depend on initial position */
#define POSITION_Y_DEPENDENCE 1 /* set to 1 for the separation between particles to be horizontal */
#define POSITION_DEP_SIGN -1.0 /* sign in position dependence condition */
#define POSITION_DEP_X -0.625 /* threshold value for position-dependent type */
#define POSITION_DEP_X 1.5 /* threshold value for position-dependent type */
#define POSITION_DEP_Y 1.5 /* threshold value for position-dependent type */
#define POSITION_DEP_MASS_RATIO 5.0 /* position-dependent mass factor */
#define PRINT_ENTROPY 0 /* set to 1 to compute entropy */
#define SPECIAL_IC 0 /* set to 1 for choosing special initial condition RD_INITIAL_COND */
@@ -602,11 +616,21 @@
#define PARTICLE_MASS_D 1.0 /* mass or partner particle */
#define CHARGE_D -1.0 /* charge of partner particle */
#define ADD_ABSORBERS 1 /* set to 1 to add absorbing discs */
#define ABSORBER_PATTERN 4 /* pattern of absorbers, see AP_* in global_ljones */
#define ADD_ABSORBERS 0 /* set to 1 to add absorbing discs */
#define ABSORBER_PATTERN 3 /* pattern of absorbers, see AP_* in global_ljones */
#define ABSORBER_X 0.0
#define ABSORBER_Y 0.0 /* coordinates of first absorber */
#define ABSORBER_R 0.16 /* radius of absorber */
#define ABSORBER_R 0.015 /* radius of absorber */
#define ABSORBER_PDIST 0.4 /* parameter of Poisson disc process */
#define ADD_POTENTIAL_SPHERE 0 /* add potential for gradient force field on sphere */
#define DRAW_POTENTIAL_SPHERE 1 /* draw sphere radius depending on potential */
#define SPHERE_POTENTIAL 1 /* type of sphere potential */
#define SPHERE_POT_PATTERN 3 /* pattern of local minma of SPP_WELLS sphere potential */
#define POT_SPHERE_AMP 1.0 /* amplitude in definition of potential on sphere */
#define POT_SPHERE_RADIUS 0.1 /* radius in definition of potential on sphere */
#define POT_SPHERE_SMOOTH 0.5 /* smoothing of potential well */
#define POT_SPHERE_STRENGTH 1.0e3 /* coefficient of gradient force */
#define NXMAZE 16 /* width of maze */
#define NYMAZE 16 /* height of maze */
@@ -620,8 +644,8 @@
#define FLOOR_OMEGA 0 /* set to 1 to limit particle momentum to PMAX */
#define PMAX 1000.0 /* maximal force */
#define HASHX 60 /* size of hashgrid in x direction */
#define HASHY 30 /* size of hashgrid in y direction */
#define HASHX 120 /* size of hashgrid in x direction */
#define HASHY 60 /* size of hashgrid in y direction */
#define HASHMAX 100 /* maximal number of particles per hashgrid cell */
#define HASHGRID_PADDING 0.1 /* padding of hashgrid outside simulation window */
@@ -634,27 +658,28 @@
/* constants related to evolution on a sphere */
#define SPHERE 1 /* set to 1 to compute evolution in spherical geometry */
#define SIN_THETA_REG 0.01 /* regularization of sin(theta) for motion on sphere */
#define POLAR_PADDING 0.05 /* region around poles that belong to the same hashcell */
#define SIN_THETA_REG 0.01 /* regularization of sin(theta) for motion on sphere */
#define POLAR_PADDING 0.01 /* region around poles that belong to the same hashcell */
#define DRAW_SPHERE 1 /* set to 1 to draw 3D sphere */
#define DRAW_ELLIPSES_ON_SPHERE 1 /* set to 1 to draw ellipses instead of circles on sphere in 2D */
#define NX_SPHERE 3000
#define NY_SPHERE 1500 /* number of points on sphere */
#define Z_SCALING_FACTOR 0.75 /* overall scaling factor of z axis for REP_PROJ_3D representation */
#define XY_SCALING_FACTOR 1.9 /* overall scaling factor for on-screen (x,y) coordinates after projection */
#define XY_SCALING_FACTOR 2.0 /* overall scaling factor for on-screen (x,y) coordinates after projection */
#define FLIPX -1.0 /* set to -1 to flip left/right */
#define ZMAX_FACTOR 1.0 /* max value of z coordinate for REP_PROJ_3D representation */
#define XSHIFT_3D -0.0 /* overall x shift for REP_PROJ_3D representation */
#define YSHIFT_3D -0.0 /* overall y shift for REP_PROJ_3D representation */
#define COS_VISIBLE -0.35 /* limit on cosine of normal to shown facets */
#define RSCALE_POTENTIAL 1.0 /* radial scaling of potential */
#define ROTATE_VIEW 1 /* set to 1 to rotate position of observer */
#define ROTATE_ANGLE 750.0 /* total angle of rotation during simulation */
#define ROTATE_ANGLE 360.0 /* total angle of rotation during simulation */
#define VIEWPOINT_TRAJ 1 /* type of viewpoint trajectory */
#define MAX_LATITUDE 45.0 /* maximal latitude for viewpoint trajectory VP_ORBIT2 */
double light[3] = {-0.40824829, 0.816496581, 0.40824829}; /* vector of "light" direction for P_3D_ANGLE color scheme */
double observer[3] = {-3.0, 0.0, 1.5}; /* location of observer for REP_PROJ_3D representation */
double observer[3] = {-3.0, 2.0, 2.5}; /* location of observer for REP_PROJ_3D representation */
#define NO_WRAP_BC ((BOUNDARY_COND != BC_PERIODIC)&&(BOUNDARY_COND != BC_PERIODIC_CIRCLE)&&(BOUNDARY_COND != BC_PERIODIC_TRIANGLE)&&(BOUNDARY_COND != BC_KLEIN)&&(BOUNDARY_COND != BC_PERIODIC_FUNNEL)&&(BOUNDARY_COND != BC_BOY)&&(BOUNDARY_COND != BC_GENUS_TWO))
#define PERIODIC_BC ((BOUNDARY_COND == BC_PERIODIC)||(BOUNDARY_COND == BC_PERIODIC_CIRCLE)||(BOUNDARY_COND == BC_PERIODIC_FUNNEL)||(BOUNDARY_COND == BC_PERIODIC_TRIANGLE))
@@ -992,6 +1017,18 @@ double gravity_schedule(int i, int j)
}
}
double g_angle_schedule(int i, int j)
{
double time;
if (i < INITIAL_TIME + GRAVITY_INITIAL_TIME) return(0.0);
time = ((double)(i - INITIAL_TIME - GRAVITY_INITIAL_TIME) + (double)j/(double)NVID)/(double)(NSTEPS - GRAVITY_INITIAL_TIME);
return(GRAVITY_INITIAL_ANGLE*PI/180.0 + time*GRAVITY_DELTA_ANGLE*PI/180.0);
// return(PI*time);
}
double rotation_angle(double phase)
{
/* case of rotating hourglass */
@@ -1851,13 +1888,11 @@ void evolve_obstacles(t_obstacle obstacle[NMAXOBSTACLES])
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, dist;
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, dist, dphi_inv, dtheta_inv, sincos;
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,
tracer_n[N_TRACER_PARTICLES], traj_position = 0, traj_length = 0, move = 0, old, m0, floor, nthermo, wall = 0,
group, gshift, n_total_active = 0, ncollisions = 0, ncoupled = 1, np, belt, obs, reset_obs;
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, tracer_n[N_TRACER_PARTICLES], traj_position = 0, traj_length = 0, move = 0, old, m0, floor, nthermo, wall = 0, group, gshift, n_total_active = 0, ncollisions = 0, ncoupled = 1, np, belt, obs, reset_obs;
int *particle_numbers;
static int imin, imax;
static short int first = 1;
@@ -1876,7 +1911,7 @@ void animation()
t_otriangle *otriangle;
t_ofacet *ofacet;
t_lj_sphere *wsphere;
t_absorber *absorber;
t_absorber *absorber, *wells;
char message[100];
ratioc = 1.0 - ratio;
@@ -1888,16 +1923,19 @@ void animation()
params.xmaxcontainer = BCXMAX;
params.fboundary = 0.0;
params.gravity = GRAVITY;
params.g_angle = 0.0;
params.radius = MU;
params.nabsorbed = 0;
particle = (t_particle *)malloc(NMAXCIRCLES*sizeof(t_particle)); /* particles */
/* sphere data */
if (DRAW_SPHERE)
if (SPHERE)
{
wsphere = (t_lj_sphere *)malloc(NX_SPHERE*NY_SPHERE*sizeof(t_lj_sphere));
init_lj_sphere(wsphere);
dphi_inv = (double)NX_SPHERE/DPI;
dtheta_inv = (double)NY_SPHERE/PI;
}
if (CLUSTER_PARTICLES)
@@ -1949,10 +1987,20 @@ void animation()
for (i=0; i<2*NMAXCOLLISIONS; i++) collisions[i].time = 0;
}
if (ADD_POTENTIAL_SPHERE)
{
if (SPHERE_POTENTIAL == SPP_WELLS)
{
wells = (t_absorber *)malloc(2*NMAX_ABSORBERS*sizeof(t_absorber));
nwells = init_absorbers(wells, SPHERE_POT_PATTERN, POT_SPHERE_RADIUS);
}
init_potential_sphere(wsphere, wells);
}
if (ADD_ABSORBERS)
{
absorber = (t_absorber *)malloc(2*NMAX_ABSORBERS*sizeof(t_absorber));
nabsorbers = init_absorbers(absorber);
nabsorbers = init_absorbers(absorber, ABSORBER_PATTERN, ABSORBER_R);
if (DRAW_SPHERE) draw_absorbers_sphere(absorber, wsphere);
}
@@ -1965,7 +2013,11 @@ void animation()
lj_log = fopen("lj_logfile.txt", "w");
if (ADD_FIXED_OBSTACLES) init_obstacle_config(obstacle, otriangle, ofacet);
if (ADD_FIXED_SEGMENTS) init_segment_config(segment, conveyor_belt);
if (ADD_FIXED_SEGMENTS)
{
init_segment_config(segment, conveyor_belt);
if (DRAW_SPHERE) draw_segments_sphere(segment, wsphere);
}
if ((MOVE_SEGMENT_GROUPS)&&(ADD_FIXED_SEGMENTS))
{
@@ -2050,6 +2102,8 @@ void animation()
else params.efield = EFIELD;
if (INCREASE_B) params.bfield = bfield_schedule(i);
else params.bfield = BFIELD;
if (CHANGE_OMEGA_SPHERE) params.omega_sphere = omega_sphere_schedule(i);
else params.omega_sphere = OMEGA_SPHERE;
if ((PARTIAL_THERMO_COUPLING)&&(PARTIAL_THERMO_REGION == TH_RING_EXPAND))
params.thermo_radius = PARTIAL_THERMO_RIN + (double)i/(double)NSTEPS*(PARTIAL_THERMO_RFIN - PARTIAL_THERMO_RIN);
if (DECREASE_CONTAINER_SIZE)
@@ -2137,6 +2191,7 @@ void animation()
if (INCREASE_GRAVITY) params.gravity = gravity_schedule(i,n);
if (SPHERE_GRAVITY > 0) params.g_angle = g_angle_schedule(i,n);
if ((BOUNDARY_COND == BC_RECTANGLE_WALL)&&(i < INITIAL_TIME + WALL_TIME)) wall = 1;
else wall = 0;
@@ -2244,7 +2299,18 @@ void animation()
// }
/* add gravity */
if (INCREASE_GRAVITY)
if (SPHERE_GRAVITY == SG_POLAR)
{
particle[j].fx += params.gravity*sin(params.g_angle)*sin(particle[j].xc)/particle[j].mass_inv;
particle[j].fy -= params.gravity*sin(params.g_angle)*cos(particle[j].xc)*cos(particle[j].yc)/particle[j].mass_inv;
particle[j].fy -= params.gravity*cos(params.g_angle)*sin(particle[j].yc)/particle[j].mass_inv;
}
else if (SPHERE_GRAVITY == SG_EQUATOR)
{
particle[j].fx += params.gravity*sin(params.g_angle - particle[j].xc)/particle[j].mass_inv;
particle[j].fy += params.gravity*cos(params.g_angle - particle[j].xc)*cos(particle[j].yc)/particle[j].mass_inv;
}
else if (INCREASE_GRAVITY)
{
if (CIRCULAR_GRAVITY)
{
@@ -2268,7 +2334,11 @@ void animation()
if (ADD_EFIELD)
{
if ((INCREASE_E)||(OSCILLATE_E))
particle[j].fx += params.efield*particle[j].charge;
{
if (SPHERE) /* zero E field at poles */
particle[j].fx += params.efield*particle[j].charge*sin(particle[j].yc);
else particle[j].fx += params.efield*particle[j].charge;
}
else
{
efield = EFIELD;
@@ -2278,7 +2348,9 @@ void animation()
efield *= (double)partial_efield(particle[j].xc, particle[j].yc);
efieldy *= (double)partial_efield(particle[j].xc, particle[j].yc);
}
particle[j].fx += efield*particle[j].charge;
if (SPHERE) /* zero E field at poles */
particle[j].fx += efield*particle[j].charge*sin(particle[j].yc);
else particle[j].fx += efield*particle[j].charge;
particle[j].fy += efieldy*particle[j].charge;
}
}
@@ -2299,6 +2371,26 @@ void animation()
particle[j].fx += WIND_FORCE*particle[j].radius*particle[j].mass_inv;
}
if ((SPHERE)&&(ROTATE_SPHERE))
{
/* centrifugal force */
sincos = cos(particle[j].yc)*sin(particle[j].yc);
particle[j].fy += params.omega_sphere*params.omega_sphere*sincos;
/* Coriolis force */
particle[j].fx += 2.0*params.omega_sphere*cos(particle[j].yc)*particle[j].vy;
particle[j].fy += 2.0*params.omega_sphere*sincos*particle[j].vx;
}
/* add potential force on sphere */
if ((SPHERE)&&(ADD_POTENTIAL_SPHERE))
{
i0 = (int)(particle[j].xc*dphi_inv);
j0 = (int)(particle[j].yc*dtheta_inv);
// printf("(fx, fy) = (%.3lg, %.3lg)\n", POT_SPHERE_STRENGTH*wsphere[i0+NY_SPHERE+j0].nablax, POT_SPHERE_STRENGTH*wsphere[i0+NY_SPHERE+j0].nablay);
particle[j].fx -= POT_SPHERE_STRENGTH*wsphere[i0*NY_SPHERE+j0].nablax;
particle[j].fy -= POT_SPHERE_STRENGTH*wsphere[i0*NY_SPHERE+j0].nablay;
}
if (FLOOR_FORCE)
{
if (particle[j].fx > FMAX) particle[j].fx = FMAX;
@@ -2814,13 +2906,15 @@ void animation()
if (ADD_ABSORBERS) free(absorber);
if ((ADD_POTENTIAL_SPHERE)&&(SPHERE_POTENTIAL == SPP_WELLS)) free(wells);
if (SAVE_TIME_SERIES)
{
fclose(lj_time_series);
fclose(lj_final_position);
}
if (DRAW_SPHERE) free(wsphere);
if (SPHERE) free(wsphere);
fclose(lj_log);
}