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This commit is contained in:
Nils Berglund
2022-06-25 15:49:37 +02:00
committed by GitHub
parent fc192fb978
commit 419902e963
19 changed files with 2111 additions and 576 deletions
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317
lennardjones.c
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@@ -39,11 +39,10 @@
#define MOVIE 0 /* set to 1 to generate movie */
#define DOUBLE_MOVIE 0 /* set to 1 to produce movies for wave height and energy simultaneously */
#define TIME_LAPSE 0 /* set to 1 to add a time-lapse movie at the end */
#define TIME_LAPSE 1 /* set to 1 to add a time-lapse movie at the end */
/* so far incompatible with double movie */
#define TIME_LAPSE_FACTOR 3 /* factor of time-lapse movie */
/* General geometrical parameters */
#define WINWIDTH 1280 /* window width */
@@ -54,15 +53,15 @@
#define YMIN -1.125
#define YMAX 1.125 /* y interval for 9/16 aspect ratio */
#define INITXMIN -0.7
#define INITXMAX 0.7 /* x interval for initial condition */
#define INITYMIN -0.5
#define INITYMAX 0.5 /* y interval for initial condition */
#define INITXMIN -1.95
#define INITXMAX 1.95 /* x interval for initial condition */
#define INITYMIN -1.05
#define INITYMAX 1.05 /* y interval for initial condition */
#define BCXMIN -2.0
#define BCXMAX 5.0 /* x interval for boundary condition */
#define BCYMIN -1.6
#define BCYMAX 1.6 /* y interval for boundary condition */
#define BCXMAX 2.0 /* x interval for boundary condition */
#define BCYMIN -1.125
#define BCYMAX 1.125 /* y interval for boundary condition */
#define OBSXMIN -2.0
#define OBSXMAX 2.0 /* x interval for motion of obstacle */
@@ -70,10 +69,10 @@
#define CIRCLE_PATTERN 8 /* pattern of circles, see list in global_ljones.c */
#define ADD_FIXED_OBSTACLES 0 /* set to 1 do add fixed circular obstacles */
#define OBSTACLE_PATTERN 2 /* pattern of obstacles, see list in global_ljones.c */
#define OBSTACLE_PATTERN 3 /* pattern of obstacles, see list in global_ljones.c */
#define ADD_FIXED_SEGMENTS 1 /* set to 1 to add fixed segments as obstacles */
#define SEGMENT_PATTERN 5 /* pattern of repelling segments, see list in global_ljones.c */
#define ADD_FIXED_SEGMENTS 0 /* set to 1 to add fixed segments as obstacles */
#define SEGMENT_PATTERN 9 /* pattern of repelling segments, see list in global_ljones.c */
#define TWO_TYPES 0 /* set to 1 to have two types of particles */
#define TPYE_PROPORTION 0.7 /* proportion of particles of first type */
@@ -89,14 +88,14 @@
#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 3.33 /* minimal distance in Poisson disc process, controls density of particles */
#define PDISC_DISTANCE 4.0 /* minimal distance in Poisson disc process, controls density of particles */
#define PDISC_CANDIDATES 100 /* number of candidates in construction of Poisson disc process */
#define RANDOM_POLY_ANGLE 0 /* set to 1 to randomize angle of polygons */
#define LAMBDA 0.7 /* parameter controlling the dimensions of domain */
#define LAMBDA 0.2 /* parameter controlling the dimensions of domain */
#define MU 0.012 /* parameter controlling radius of particles */
#define MU_B 0.018 /* parameter controlling radius of particles of second type */
#define NPOLY 18 /* number of sides of polygon */
#define MU_B 0.018 /* parameter controlling radius of particles of second type */
#define NPOLY 20 /* number of sides of polygon */
#define APOLY 0.666666666 /* angle by which to turn polygon, in units of Pi/2 */
#define MDEPTH 4 /* depth of computation of Menger gasket */
#define MRATIO 3 /* ratio defining Menger gasket */
@@ -107,6 +106,7 @@
#define NGRIDY 24 /* number of grid point for grid of disks */
#define EHRENFEST_RADIUS 0.9 /* radius of container for Ehrenfest urn configuration */
#define EHRENFEST_WIDTH 0.035 /* width of tube for Ehrenfest urn configuration */
#define TWO_CIRCLES_RADIUS_RATIO 0.8 /* ratio of radii for S_TWO_CIRCLES_EXT segment configuration */
#define X_SHOOTER -0.2
#define Y_SHOOTER -0.6
@@ -115,10 +115,11 @@
/* Parameters for length and speed of simulation */
#define NSTEPS 2000 /* number of frames of movie */
#define NVID 500 /* number of iterations between images displayed on screen */
#define NSEG 250 /* number of segments of boundary */
#define INITIAL_TIME 50 /* time after which to start saving frames */
#define NSTEPS 3000 /* number of frames of movie */
#define NVID 80 /* number of iterations between images displayed on screen */
#define NSEG 150 /* number of segments of boundary */
#define INITIAL_TIME 100 /* time after which to start saving frames */
#define OBSTACLE_INITIAL_TIME 50 /* time after which to start moving obstacle */
#define BOUNDARY_WIDTH 1 /* width of particle boundary */
#define LINK_WIDTH 2 /* width of links between particles */
#define CONTAINER_WIDTH 4 /* width of container boundary */
@@ -132,14 +133,16 @@
/* Boundary conditions, see list in global_ljones.c */
#define BOUNDARY_COND 3
#define BOUNDARY_COND 0
/* Plot type, see list in global_ljones.c */
#define PLOT 0
#define PLOT_B 8 /* plot type for second movie */
#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 */
#define FILL_TRIANGLES 0 /* set to 1 to fill triangles between neighbours */
/* Color schemes */
@@ -162,48 +165,49 @@
/* particle properties */
#define ENERGY_HUE_MIN 330.0 /* color of original particle */
#define ENERGY_HUE_MAX 50.0 /* color of saturated particle */
#define ENERGY_HUE_MIN 330.0 /* 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_EMAX 2.0e2 /* energy of particle with hottest color */
#define HUE_TYPE0 45.0 /* hue of particles of type 0 */
#define HUE_TYPE1 300.0 /* hue of particles of type 1 */
#define HUE_TYPE2 300.0 /* hue of particles of type 2 */
#define HUE_TYPE3 300.0 /* hue of particles of type 3 */
#define PARTICLE_EMAX 1.0e3 /* energy of particle with hottest color */
#define HUE_TYPE0 280.0 /* hue of particles of type 0 */
#define HUE_TYPE1 70.0 /* hue of particles of type 1 */
#define HUE_TYPE2 180.0 /* hue of particles of type 2 */
#define HUE_TYPE3 210.0 /* hue of particles of type 3 */
#define RANDOM_RADIUS 0 /* set to 1 for random circle radius */
#define DT_PARTICLE 2.0e-6 /* time step for particle displacement */
#define DT_PARTICLE 3.0e-6 /* time step for particle displacement */
#define KREPEL 12.0 /* constant in repelling force between particles */
#define EQUILIBRIUM_DIST 4.5 /* Lennard-Jones equilibrium distance */
#define EQUILIBRIUM_DIST 5.0 /* Lennard-Jones equilibrium distance */
#define EQUILIBRIUM_DIST_B 3.5 /* Lennard-Jones equilibrium distance for second type of particle */
#define REPEL_RADIUS 20.0 /* radius in which repelling force acts (in units of particle radius) */
#define DAMPING 1.0e-1 /* damping coefficient of particles */
#define PARTICLE_MASS 4.0 /* mass of particle of radius MU */
#define DAMPING 25.0 /* damping coefficient of particles */
#define PARTICLE_MASS 1.0 /* mass of particle of radius MU */
#define PARTICLE_MASS_B 1.0 /* mass of particle of radius MU */
#define PARTICLE_INERTIA_MOMENT 0.2 /* moment of inertia of particle */
#define PARTICLE_INERTIA_MOMENT_B 0.02 /* moment of inertia of second type of particle */
#define V_INITIAL 10.0 /* initial velocity range */
#define V_INITIAL 0.0 /* initial velocity range */
#define OMEGA_INITIAL 10.0 /* initial angular velocity range */
#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 0.02 /* initial inverse temperature */
#define BETA 0.1 /* initial inverse temperature */
#define MU_XI 0.01 /* friction constant in thermostat */
#define KSPRING_BOUNDARY 1.0e11 /* confining harmonic potential outside simulation region */
#define KSPRING_OBSTACLE 1.0e11 /* harmonic potential of obstacles */
#define NBH_DIST_FACTOR 4.0 /* radius in which to count neighbours */
#define GRAVITY 0.0 /* gravity acting on all particles */
#define NBH_DIST_FACTOR 6.0 /* radius in which to count neighbours */
#define GRAVITY 1000.0 /* gravity acting on all particles */
#define INCREASE_GRAVITY 0 /* set to 1 to increase gravity during the simulation */
#define GRAVITY_FACTOR 100.0 /* factor by which to increase gravity */
#define GRAVITY_INITIAL_TIME 500 /* time at start of simulation with constant gravity */
#define GRAVITY_RESTORE_TIME 1000 /* time at end of simulation with gravity restored to initial value */
#define GRAVITY_SCHEDULE 2 /* type of gravity schedule, see list in global_ljones.c */
#define GRAVITY_FACTOR 50.0 /* factor by which to increase gravity */
#define GRAVITY_INITIAL_TIME 200 /* time at start of simulation with constant gravity */
#define GRAVITY_RESTORE_TIME 700 /* time at end of simulation with gravity restored to initial value */
#define 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 50.0 /* force constant in angular dynamics */
#define KTORQUE 100.0 /* force constant in angular dynamics */
#define KTORQUE_B 10.0 /* force constant in angular dynamics */
#define KTORQUE_DIFF 150.0 /* force constant in angular dynamics for different particles */
#define DRAW_SPIN 0 /* set to 1 to draw spin vectors of particles */
@@ -214,10 +218,10 @@
#define QUADRUPOLE_RATIO 0.6 /* anisotropy in quadrupole potential */
#define INCREASE_BETA 1 /* set to 1 to increase BETA during simulation */
#define BETA_FACTOR 0.025 /* factor by which to change BETA during simulation */
#define BETA_FACTOR 0.02 /* factor by which to change BETA during simulation */
#define N_TOSCILLATIONS 1.5 /* number of temperature oscillations in BETA schedule */
#define NO_OSCILLATION 1 /* set to 1 to have exponential BETA change only */
#define FINAL_CONSTANT_PHASE 1000 /* final phase in which temperature is constant */
#define FINAL_CONSTANT_PHASE 0 /* final phase in which temperature is constant */
#define DECREASE_CONTAINER_SIZE 0 /* set to 1 to decrease size of container */
#define SYMMETRIC_DECREASE 0 /* set tp 1 to decrease container symmetrically */
@@ -238,9 +242,11 @@
#define N_P_AVERAGE 100 /* size of pressure averaging window */
#define N_T_AVERAGE 50 /* 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 particles to the right of obstacle to thermostat */
#define PARTIAL_THERMO_REGION 1 /* region for partial thermostat coupling (see list in global_ljones.c) */
#define PARTIAL_THERMO_SHIFT 0.5 /* distance from obstacle at the right of which particles are coupled to thermostat */
#define PARTIAL_THERMO_COUPLING 1 /* set to 1 to couple only particles to the right of obstacle to thermostat */
#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 0.5 /* vertical size of partial thermostat coupling */
#define PARTIAL_THERMO_HEIGHT 0.2 /* vertical size of partial thermostat coupling */
#define INCREASE_KREPEL 0 /* set to 1 to increase KREPEL during simulation */
#define KREPEL_FACTOR 1000.0 /* factor by which to change KREPEL during simulation */
@@ -250,8 +256,8 @@
#define NPART_BOTTOM 100 /* number of particles at the bottom */
#define ADD_PARTICLES 0 /* set to 1 to add particles */
#define ADD_TIME 500 /* time at which to add first particle */
#define ADD_PERIOD 250 /* time interval between adding further particles */
#define ADD_TIME 0 /* time at which to add first particle */
#define ADD_PERIOD 10000 /* time interval between adding further particles */
#define FINAL_NOADD_PERIOD 200 /* final period where no particles are added */
#define SAFETY_FACTOR 2.0 /* no particles are added at distance less than MU*SAFETY_FACTOR of other particles */
@@ -263,16 +269,21 @@
#define ROTATE_BOUNDARY 0 /* set to 1 to rotate the repelling segments */
#define SMOOTH_ROTATION 1 /* set to 1 to update segments at each time step (rather than at each movie frame) */
#define PERIOD_ROTATE_BOUNDARY 2500 /* period of rotating boundary */
#define PERIOD_ROTATE_BOUNDARY 1000 /* period of rotating boundary */
#define ROTATE_INITIAL_TIME 0 /* initial time without rotation */
#define ROTATE_FINAL_TIME 500 /* final time without rotation */
#define ROTATE_FINAL_TIME 100 /* final time without rotation */
#define ROTATE_CHANGE_TIME 0.33 /* relative duration of acceleration/deceleration phases */
#define OMEGAMAX 100.0 /* maximal rotation speed */
#define PRINT_OMEGA 0 /* set to 1 to print angular speed */
#define PRINT_PARTICLE_SPEEDS 0 /* set to 1 to print average speeds/momenta of particles */
#define PRINT_SEGMENTS_SPEEDS 0 /* set to 1 to print velocity of moving segments */
#define MOVE_BOUNDARY 1 /* set to 1 to move repelling segments, due to force from particles */
#define SEGMENTS_MASS 100.0 /* mass of collection of segments */
#define DEACTIVATE_SEGMENT 1 /* set to 1 to deactivate last segment after a certain time */
#define MOVE_BOUNDARY 0 /* set to 1 to move repelling segments, due to force from particles */
#define SEGMENTS_MASS 5.0 /* mass of collection of segments */
#define DEACTIVATE_SEGMENT 0 /* set to 1 to deactivate last segment after a certain time */
#define SEGMENT_DEACTIVATION_TIME 1000 /* time at which to deactivate last segment */
#define SEGMENTS_X0 0.0 /* initial position of segments */
#define SEGMENTS_Y0 -0.75 /* initial position of segments */
#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 vertical */
@@ -280,7 +291,7 @@
#define REACTION_DIFFUSION 0 /* set to 1 to simulate a chemical reaction (particles may change type) */
#define RD_TYPES 3 /* number of types in reaction-diffusion equation */
#define REACTION_PROB 0.03 /* probability controlling reaction term */
#define REACTION_PROB 0.0045 /* probability controlling reaction term */
#define PRINT_PARTICLE_NUMBER 0 /* set to 1 to print total number of particles */
#define PRINT_LEFT 1 /* set to 1 to print certain parameters at the top left instead of right */
@@ -297,11 +308,11 @@
#define FLOOR_FORCE 1 /* set to 1 to limit force on particle to FMAX */
#define FMAX 1.0e12 /* maximal force */
#define FLOOR_OMEGA 1 /* set to 1 to limit particle momentum to PMAX */
#define FLOOR_OMEGA 0 /* set to 1 to limit particle momentum to PMAX */
#define PMAX 1000.0 /* maximal force */
#define HASHX 100 /* size of hashgrid in x direction */
#define HASHY 40 /* size of hashgrid in y direction */
#define HASHX 60 /* size of hashgrid in x direction */
#define HASHY 30 /* size of hashgrid in y direction */
#define HASHMAX 100 /* maximal number of particles per hashgrid cell */
#define HASHGRID_PADDING 0.1 /* padding of hashgrid outside simulation window */
@@ -312,6 +323,7 @@
#define NO_WRAP_BC ((BOUNDARY_COND != BC_PERIODIC)&&(BOUNDARY_COND != BC_PERIODIC_CIRCLE)&&(BOUNDARY_COND != BC_PERIODIC_TRIANGLE)&&(BOUNDARY_COND != BC_KLEIN)&&(BOUNDARY_COND != BC_PERIODIC_FUNNEL)&&(BOUNDARY_COND != BC_BOY)&&(BOUNDARY_COND != BC_GENUS_TWO))
#define PERIODIC_BC ((BOUNDARY_COND == BC_PERIODIC)||(BOUNDARY_COND == BC_PERIODIC_CIRCLE)||(BOUNDARY_COND == BC_PERIODIC_FUNNEL)||(BOUNDARY_COND == BC_PERIODIC_TRIANGLE))
#define TWO_OBSTACLES (SEGMENT_PATTERN == S_TWO_CIRCLES_EXT)
double xshift = 0.0; /* x shift of shown window */
double xspeed = 0.0; /* x speed of obstacle */
@@ -320,10 +332,10 @@ double vylid = 0.0; /* y speed coordinate of lid (for BC_RECTANGLE_LID b.c
double xwall = 0.0; /* x coordinate of wall (for BC_RECTANGLE_WALL b.c.) */
double vxwall = 0.0; /* x speed of wall (for BC_RECTANGLE_WALL b.c.) */
double angular_speed = 0.0; /* angular speed of rotating segments */
double xsegments = 0.0; /* x coordinate of segments (for option MOVE_BOUNDARY) */
double ysegments = 0.0; /* y coordinate of segments (for option MOVE_BOUNDARY) */
double vxsegments = 0.0; /* vx coordinate of segments (for option MOVE_BOUNDARY) */
double vysegments = 0.0; /* vy coordinate of segments (for option MOVE_BOUNDARY) */
double xsegments[2] = {SEGMENTS_X0, -SEGMENTS_X0}; /* x coordinate of segments (for option MOVE_BOUNDARY) */
double ysegments[2] = {SEGMENTS_Y0, SEGMENTS_Y0}; /* y coordinate of segments (for option MOVE_BOUNDARY) */
double vxsegments[2] = {0.0, 0.0}; /* vx coordinate of segments (for option MOVE_BOUNDARY) */
double vysegments[2] = {0.0, 0.0}; /* vy coordinate of segments (for option MOVE_BOUNDARY) */
int thermostat_on = 1; /* thermostat switch used when VARY_THERMOSTAT is on */
#define THERMOSTAT_ON ((THERMOSTAT)&&((!VARY_THERMOSTAT)||(thermostat_on)))
@@ -440,31 +452,68 @@ double obstacle_schedule_smooth(int i, int j)
double gravity_schedule(int i, int j)
{
double time, gravity;
double time, gravity, x, y;
if ((i < INITIAL_TIME + GRAVITY_INITIAL_TIME)||(i > NSTEPS + INITIAL_TIME - GRAVITY_RESTORE_TIME)) return(GRAVITY);
else
{
time = ((double)(i - INITIAL_TIME - GRAVITY_INITIAL_TIME)
+ (double)j/(double)NVID)/(double)(NSTEPS - GRAVITY_RESTORE_TIME - GRAVITY_INITIAL_TIME);
gravity = GRAVITY*(1.0 + time*(GRAVITY_FACTOR - 1.0));
// printf("i = %i, time = %.3lg, Gravity = %.3lg\n", i, time, gravity);
return(gravity);
switch (GRAVITY_SCHEDULE){
case (G_INCREASE_RELEASE):
{
if ((i < INITIAL_TIME + GRAVITY_INITIAL_TIME)||(i > NSTEPS + INITIAL_TIME - GRAVITY_RESTORE_TIME)) return(GRAVITY);
else
{
time = ((double)(i - INITIAL_TIME - GRAVITY_INITIAL_TIME)
+ (double)j/(double)NVID)/(double)(NSTEPS - GRAVITY_RESTORE_TIME - GRAVITY_INITIAL_TIME);
gravity = GRAVITY*(1.0 + time*(GRAVITY_FACTOR - 1.0));
return(gravity);
}
break;
}
case (G_INCREASE_DECREASE):
{
if ((i < INITIAL_TIME + GRAVITY_INITIAL_TIME)||(i > NSTEPS + INITIAL_TIME - GRAVITY_RESTORE_TIME)) return(GRAVITY);
else
{
time = ((double)(i - INITIAL_TIME - GRAVITY_INITIAL_TIME)
+ (double)j/(double)NVID)/(double)(NSTEPS - GRAVITY_RESTORE_TIME - GRAVITY_INITIAL_TIME);
x = 2.0 - cos(DPI*time);
y = 0.5*((GRAVITY_FACTOR - 1.0)*x + 3.0 - GRAVITY_FACTOR);
gravity = GRAVITY*y;
return(gravity);
}
break;
}
}
}
double rotation_angle(double phase)
{
double omegamax = 15.0;
/* case of rotating hourglass */
while (phase > DPI) phase -= DPI;
return(phase - 0.5*sin(2.0*phase));
// while (phase > DPI) phase -= DPI;
// return(phase - 0.5*sin(2.0*phase));
/* case of centrifuge */
// while (phase > DPI) phase -= DPI;
// angular_speed = 0.5*omegamax*(1.0 - cos(phase));
// return(0.5*omegamax*(phase - sin(phase)));
// while (phase > 1.0) phase -= 1.0;
// phase *= DPI;
// angular_speed = 0.5*OMEGAMAX*(1.0 - cos(phase));
// return(0.5*OMEGAMAX*(phase - sin(phase)));
/* case of centrifuge remaining at constant speed for a while */
if (phase < ROTATE_CHANGE_TIME)
{
// angular_speed = 0.5*OMEGAMAX*(1.0 - cos(phase*PI/ROTATE_CHANGE_TIME));
return(0.5*OMEGAMAX*(phase - (ROTATE_CHANGE_TIME/PI)*sin(phase*PI/ROTATE_CHANGE_TIME)));
}
else if (phase < 1.0 - ROTATE_CHANGE_TIME)
{
// angular_speed = OMEGAMAX;
return(0.5*OMEGAMAX*(2.0*phase - ROTATE_CHANGE_TIME));
}
else
{
// angular_speed = 0.5*OMEGAMAX*(1.0 + cos((phase - 1.0 + ROTATE_CHANGE_TIME)*PI/ROTATE_CHANGE_TIME));
return(0.5*OMEGAMAX*(2.0 - 2.0*ROTATE_CHANGE_TIME + phase - 1.0 + (ROTATE_CHANGE_TIME/PI)*sin((1.0-phase)*PI/ROTATE_CHANGE_TIME)));
}
}
double rotation_schedule(int i)
@@ -487,7 +536,7 @@ double rotation_schedule(int i)
double rotation_schedule_smooth(int i, int j)
{
double phase;
double phase, angle, phase1, angle1;
static int imin = INITIAL_TIME + ROTATE_INITIAL_TIME, imax = INITIAL_TIME + NSTEPS - ROTATE_FINAL_TIME;
if (i < imin)
@@ -497,9 +546,22 @@ double rotation_schedule_smooth(int i, int j)
}
else
{
if (i > imax) i = imax;
phase = (DPI/(double)PERIOD_ROTATE_BOUNDARY)*((double)(i - imin) + (double)j/(double)NVID);
return(rotation_angle(phase));
if (i > imax)
{
angle = rotation_angle(1.0);
angular_speed = 0.0;
}
else
{
phase = (1.0/(double)(imax - imin))*((double)(i - imin) + (double)j/(double)NVID);
angle = rotation_angle(phase);
phase1 = (1.0/(double)(imax - imin))*((double)(i + 1 - imin) + (double)j/(double)NVID);
angle1 = rotation_angle(phase1);
angular_speed = 25.0*(angle1 - angle);
}
return(angle);
}
}
@@ -660,37 +722,68 @@ void evolve_wall(double fboundary)
void evolve_segments(t_segment segment[NMAXSEGMENTS])
{
int i, nactive = 0;
double fx = 0.0, fy = 0.0;
int i, nactive = 0, group;
double fx[2] = {0.0, 0.0}, fy[2] = {0.0, 0.0}, x, y, padding = 3.0*MU, mass2 = SEGMENTS_MASS*TWO_CIRCLES_RADIUS_RATIO;
for (group=0; group<2; group++)
{
fx[group] = 0.0;
fy[group] = 0.0;
}
for (i=0; i<nsegments; i++) if (segment[i].active)
{
fx += segment[i].fx;
fy += segment[i].fy;
group = segment[i].group;
fx[group] += segment[i].fx;
fy[group] += segment[i].fy;
nactive++;
if (BOUNDARY_COND == BC_SCREEN) /* add force from simulation boundary */
{
x = 0.5*(segment[i].x1 + segment[i].x2);
y = 0.5*(segment[i].y1 + segment[i].y2);
if (x < XMIN + padding) fx[group] += KSPRING_BOUNDARY*(XMIN + padding - x);
else if (x > XMAX - padding) fx[group] -= KSPRING_BOUNDARY*(x - XMAX + padding);
if (y < YMIN + padding) fy[group] += KSPRING_BOUNDARY*(YMIN + padding - y);
else if (y > YMAX - padding) fy[group] -= KSPRING_BOUNDARY*(y - YMAX + padding);
}
if (group == 0) fy[group] -= GRAVITY*SEGMENTS_MASS;
else fy[group] -= GRAVITY*mass2;
}
if (nactive > 0)
if (nactive > 0) for (group=0; group<2; group++)
{
fx = fx/(double)nactive;
fy = fy/(double)nactive;
fx[group] = fx[group]/(double)nactive;
fy[group] = fy[group]/(double)nactive;
}
if (FLOOR_FORCE)
if (FLOOR_FORCE)
{
if (fx > FMAX) fx = FMAX;
else if (fx < -FMAX) fx = -FMAX;
if (fy > FMAX) fy = FMAX;
else if (fy < -FMAX) fy = -FMAX;
if (fx[0] > FMAX) fx[0] = FMAX;
else if (fx[0] < -FMAX) fx[0] = -FMAX;
if (fy[0] > FMAX) fy[0] = FMAX;
else if (fy[0] < -FMAX) fy[0] = -FMAX;
}
vxsegments[0] += fx[0]*DT_PARTICLE/SEGMENTS_MASS;
vysegments[0] += fy[0]*DT_PARTICLE/SEGMENTS_MASS;
xsegments[0] += vxsegments[0]*DT_PARTICLE;
ysegments[0] += vysegments[0]*DT_PARTICLE;
if (TWO_OBSTACLES)
{
if (FLOOR_FORCE)
{
if (fx[1] > FMAX) fx[1] = FMAX;
else if (fx[1] < -FMAX) fx[1] = -FMAX;
if (fy[1] > FMAX) fy[1] = FMAX;
else if (fy[1] < -FMAX) fy[1] = -FMAX;
}
vxsegments[1] += fx[1]*DT_PARTICLE/mass2;
vysegments[1] += fy[1]*DT_PARTICLE/mass2;
xsegments[1] += vxsegments[1]*DT_PARTICLE;
ysegments[1] += vysegments[1]*DT_PARTICLE;
}
vxsegments += fx*DT_PARTICLE/(SEGMENTS_MASS);
vysegments += fy*DT_PARTICLE/(SEGMENTS_MASS);
xsegments += vxsegments*DT_PARTICLE;
ysegments += vysegments*DT_PARTICLE;
/* to avoid numerical instabilities */
if (xsegments + 1.0 > BCXMAX)
for (group=0; group<2; group++) if (xsegments[group] + 1.0 > BCXMAX)
{
xsegments = BCXMAX - 1.0;
vxsegments = 0.0;
xsegments[group] = BCXMAX - 1.0;
vxsegments[group] = 0.0;
}
translate_segments(segment, xsegments, ysegments);
@@ -783,7 +876,7 @@ void animation()
thermostat_on = thermostat_schedule(i);
printf("Termostat: %i\n", thermostat_on);
}
if ((DEACTIVATE_SEGMENT)&&(i > INITIAL_TIME + SEGMENT_DEACTIVATION_TIME))
if ((ADD_FIXED_SEGMENTS)&&(DEACTIVATE_SEGMENT)&&(i > INITIAL_TIME + SEGMENT_DEACTIVATION_TIME))
segment[nsegments-1].active = 0;
blank();
@@ -793,6 +886,7 @@ void animation()
pright = 0.0;
if (RECORD_PRESSURES) for (j=0; j<N_PRESSURES; j++) pressure[j] = 0.0;
// printf("evolving particles\n");
for(n=0; n<NVID; n++)
{
if (MOVE_OBSTACLE)
@@ -853,10 +947,13 @@ void animation()
if (i < INITIAL_TIME + WALL_TIME) evolve_wall(fboundary);
else xwall = 0.0;
}
if (MOVE_BOUNDARY) evolve_segments(segment);
if ((MOVE_BOUNDARY)&&(i > OBSTACLE_INITIAL_TIME)) evolve_segments(segment);
} /* end of for (n=0; n<NVID; n++) */
// printf("evolved particles\n");
if (MOVE_BOUNDARY) printf("segments position (%.3lg, %.3lg), speed (%.3lg, %.3lg)\n", xsegments, ysegments, vxsegments, vysegments);
if (MOVE_BOUNDARY)
printf("segments position (%.3lg, %.3lg), speed (%.3lg, %.3lg)\n", xsegments[0], ysegments[0], vxsegments[0], vysegments[0]);
// if ((PARTIAL_THERMO_COUPLING))
if ((PARTIAL_THERMO_COUPLING)&&(i>N_T_AVERAGE))
@@ -918,11 +1015,11 @@ void animation()
// printf("Max number of neighbours: %i\n", max_nb);
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT);
draw_particles(particle, PLOT, beta);
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
/* add a particle */
if ((ADD_PARTICLES)&&(i > ADD_TIME)&&((i - INITIAL_TIME - ADD_TIME + 1)%ADD_PERIOD == 0)&&(i < NSTEPS - FINAL_NOADD_PERIOD))
if ((ADD_PARTICLES)&&(i > ADD_TIME)&&((i - INITIAL_TIME - ADD_TIME)%ADD_PERIOD == 1)&&(i < NSTEPS - FINAL_NOADD_PERIOD))
nadd_particle = add_particles(particle, px, py, nadd_particle);
/* case of reaction-diffusion equation */
@@ -945,7 +1042,8 @@ void animation()
if (PRINT_OMEGA) print_omega(angular_speed);
else if (PRINT_PARTICLE_SPEEDS) print_particles_speeds(particle);
else if (PRINT_SEGMENTS_SPEEDS) print_segments_speeds(vxsegments, vysegments);
glutSwapBuffers();
@@ -965,7 +1063,7 @@ void animation()
if ((i >= INITIAL_TIME)&&(DOUBLE_MOVIE))
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT_B);
draw_particles(particle, PLOT_B, beta);
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
@@ -973,6 +1071,7 @@ void animation()
else if (PRINT_PARTICLE_NUMBER) 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_segments_speeds(vxsegments, vysegments);
glutSwapBuffers();
save_frame_lj_counter(NSTEPS + MID_FRAMES + 1 + counter);
counter++;
@@ -995,7 +1094,7 @@ void animation()
if (DOUBLE_MOVIE)
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT);
draw_particles(particle, PLOT, beta);
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
@@ -1003,13 +1102,14 @@ void animation()
else if (PRINT_PARTICLE_NUMBER) 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_segments_speeds(vxsegments, vysegments);
glutSwapBuffers();
}
for (i=0; i<MID_FRAMES; i++) save_frame_lj();
if (DOUBLE_MOVIE)
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT_B);
draw_particles(particle, PLOT_B, beta);
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
@@ -1017,6 +1117,7 @@ void animation()
else if (PRINT_PARTICLE_NUMBER) 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_segments_speeds(vxsegments, vysegments);
glutSwapBuffers();
}
for (i=0; i<END_FRAMES; i++) save_frame_lj_counter(NSTEPS + MID_FRAMES + 1 + counter + i);