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nilsberglund-orleans
2022-05-14 20:58:08 +02:00
committed by GitHub
parent 1112516d3d
commit 701f09b2ca
13 changed files with 5074 additions and 606 deletions
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286
lennardjones.c
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@@ -34,11 +34,12 @@
#include <sys/types.h>
#include <tiffio.h> /* Sam Leffler's libtiff library. */
#include <omp.h>
#include <time.h>
#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 1 /* set to 1 to add a time-lapse movie at the end */
#define TIME_LAPSE 0 /* 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 */
@@ -53,24 +54,27 @@
#define YMIN -1.125
#define YMAX 1.125 /* y interval for 9/16 aspect ratio */
#define INITXMIN -1.9
#define INITXMAX 1.9 /* x interval for initial condition */
#define INITYMIN -1.0
#define INITYMAX 1.0 /* y interval for initial condition */
#define INITXMIN -0.7
#define INITXMAX 0.7 /* x interval for initial condition */
#define INITYMIN 0.1
#define INITYMAX 0.6 /* y interval for initial condition */
#define BCXMIN -2.0
#define BCXMAX 2.0 /* x interval for boundary condition */
#define BCYMIN -1.125
#define BCYMAX 1.125 /* y interval for boundary condition */
#define BCXMIN -0.7
#define BCXMAX 0.7 /* x interval for boundary condition */
#define BCYMIN -0.85
#define BCYMAX 0.85 /* y interval for boundary condition */
#define OBSXMIN -2.0
#define OBSXMAX 2.0 /* x interval for motion of obstacle */
#define CIRCLE_PATTERN 8 /* pattern of circles, see list in global_ljones.c */
#define ADD_FIXED_OBSTACLES 1 /* set to 1 do add fixed circular obstacles */
#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 ADD_FIXED_SEGMENTS 1 /* set to 1 to add fixed segments as obstacles */
#define SEGMENT_PATTERN 2 /* 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 0.8 /* proportion of particles of first type */
#define SYMMETRIZE_FORCE 1 /* set to 1 to symmetrize two-particle interaction, only needed if particles are not all the same */
@@ -85,23 +89,22 @@
#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 5.75 /* minimal distance in Poisson disc process, controls density of particles */
// #define PDISC_DISTANCE 2.25 /* minimal distance in Poisson disc process, controls density of particles */
#define PDISC_DISTANCE 2.75 /* 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 2.0 /* parameter controlling the dimensions of domain */
#define MU 0.015 /* parameter controlling radius of particles */
#define MU 0.013 /* parameter controlling radius of particles */
#define MU_B 0.0254 /* parameter controlling radius of particles of second type */
#define NPOLY 3 /* number of sides of polygon */
#define APOLY 0.125 /* angle by which to turn polygon, in units of Pi/2 */
#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 */
#define MANDELLEVEL 1000 /* iteration level for Mandelbrot set */
#define MANDELLIMIT 10.0 /* limit value for approximation of Mandelbrot set */
#define FOCI 1 /* set to 1 to draw focal points of ellipse */
#define NGRIDX 30 /* number of grid point for grid of disks */
#define NGRIDY 20 /* number of grid point for grid of disks */
#define NGRIDX 46 /* number of grid point for grid of disks */
#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 */
@@ -112,11 +115,10 @@
/* Parameters for length and speed of simulation */
#define NSTEPS 5100 /* number of frames of movie */
// #define NSTEPS 2750 /* number of frames of movie */
#define NVID 200 /* number of iterations between images displayed on screen */
#define NSTEPS 5500 /* number of frames of movie */
#define NVID 650 /* number of iterations between images displayed on screen */
#define NSEG 250 /* number of segments of boundary */
#define INITIAL_TIME 20 /* time after which to start saving frames */
#define INITIAL_TIME 10 /* time after which to start saving frames */
#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 */
@@ -130,12 +132,12 @@
/* Boundary conditions, see list in global_ljones.c */
#define BOUNDARY_COND 14
#define BOUNDARY_COND 0
/* Plot type, see list in global_ljones.c */
#define PLOT 5
#define PLOT_B 4 /* plot type for second movie */
#define PLOT 0
#define PLOT_B 8 /* plot type for second movie */
#define COLOR_BONDS 1 /* set to 1 to color bonds according to length */
@@ -164,7 +166,7 @@
#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 1.0e3 /* energy of particle with hottest color */
#define PARTICLE_EMAX 2.0e2 /* energy of particle with hottest color */
#define HUE_TYPE0 280.0 /* hue of particles of type 0 */
#define HUE_TYPE1 135.0 /* hue of particles of type 1 */
#define HUE_TYPE2 70.0 /* hue of particles of type 1 */
@@ -173,7 +175,7 @@
#define RANDOM_RADIUS 0 /* set to 1 for random circle radius */
#define DT_PARTICLE 5.0e-7 /* time step for particle displacement */
#define KREPEL 12.0 /* constant in repelling force between particles */
#define EQUILIBRIUM_DIST 5.0 /* Lennard-Jones equilibrium distance */
#define EQUILIBRIUM_DIST 4.0 /* Lennard-Jones equilibrium distance */
#define EQUILIBRIUM_DIST_B 5.0 /* 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 0.0 /* damping coefficient of particles */
@@ -185,16 +187,18 @@
#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 0.0001 /* initial inverse temperature */
#define BETA 0.01 /* initial inverse temperature */
#define MU_XI 0.01 /* friction constant in thermostat */
#define KSPRING_BOUNDARY 5.0e9 /* confining harmonic potential outside simulation region */
#define KSPRING_OBSTACLE 5.0e8 /* 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 KSPRING_OBSTACLE 5.0e9 /* harmonic potential of obstacles */
#define NBH_DIST_FACTOR 4.5 /* radius in which to count neighbours */
#define GRAVITY 10000.0 /* 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_RESTORE_TIME 750 /* time at end of simulation with gravity restored to initial value */
#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 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 */
@@ -212,8 +216,8 @@
#define INCREASE_BETA 0 /* set to 1 to increase BETA during simulation */
#define BETA_FACTOR 20.0 /* factor by which to change BETA during simulation */
#define N_TOSCILLATIONS 1.5 /* number of temperature oscillations in BETA schedule */
#define NO_OSCILLATION 0 /* set to 1 to have exponential BETA change only */
#define FINAL_CONSTANT_PHASE 0 /* final phase in which temperature is constant */
#define NO_OSCILLATION 1 /* set to 1 to have exponential BETA change only */
#define FINAL_CONSTANT_PHASE 2000 /* 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 */
@@ -235,6 +239,7 @@
#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 INCREASE_KREPEL 0 /* set to 1 to increase KREPEL during simulation */
@@ -245,22 +250,40 @@
#define NPART_BOTTOM 100 /* number of particles at the bottom */
#define ADD_PARTICLES 0 /* set to 1 to add particles */
#define ADD_TIME 25 /* time at which to add first particle */
#define ADD_PERIOD 20 /* time interval between adding further particles */
#define FINAL_NOADD_PERIOD 250 /* final period where no particles are added */
#define ADD_TIME 500 /* time at which to add first particle */
#define ADD_PERIOD 250 /* 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 */
#define TRACER_PARTICLE 1 /* set to 1 to have a tracer particle */
#define TRACER_PARTICLE 0 /* set to 1 to have a tracer particle */
#define N_TRACER_PARTICLES 3 /* number of tracer particles */
#define TRAJECTORY_LENGTH 8000 /* length of recorded trajectory */
#define TRACER_PARTICLE_MASS 4.0 /* relative mass of tracer particle */
#define TRAJECTORY_WIDTH 3 /* width of tracer particle trajectory */
#define ROTATE_BOUNDARY 1 /* 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 ROTATE_INITIAL_TIME 0 /* initial time without rotation */
#define ROTATE_FINAL_TIME 500 /* final time without rotation */
#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 MOVE_BOUNDARY 0 /* 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 SEGMENT_DEACTIVATION_TIME 1000 /* time at which to deactivate last segment */
#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 */
#define PRINT_ENTROPY 0 /* set to 1 to compute entropy */
#define REACTION_DIFFUSION 0 /* set to 1 to simulate a chemical reaction (particles may change type) */
#define RD_TYPES 3 /* number of types in reaction-diffusion equation */
#define REACTION_PROB 0.03 /* probability controlling reaction term */
#define PRINT_PARTICLE_NUMBER 0 /* set to 1 to print total number of particles */
#define PRINT_LEFT 0 /* set to 1 to print certain parameters at the top left instead of right */
#define EHRENFEST_COPY 0 /* set to 1 to add equal number of larger particles (for Ehrenfest model) */
@@ -277,8 +300,8 @@
#define FLOOR_OMEGA 1 /* set to 1 to limit particle momentum to PMAX */
#define PMAX 1000.0 /* maximal force */
#define HASHX 34 /* size of hashgrid in x direction */
#define HASHY 18 /* size of hashgrid in y direction */
#define HASHX 40 /* size of hashgrid in x direction */
#define HASHY 20 /* 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 */
@@ -296,6 +319,14 @@ double ylid = 0.9; /* y coordinate of lid (for BC_RECTANGLE_LID b.c.) */
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) */
int thermostat_on = 1; /* thermostat switch used when VARY_THERMOSTAT is on */
#define THERMOSTAT_ON ((THERMOSTAT)&&((!VARY_THERMOSTAT)||(thermostat_on)))
#include "global_ljones.c"
#include "sub_lj.c"
@@ -332,8 +363,8 @@ double temperature_schedule(int i)
if (first)
{
bexponent = log(BETA_FACTOR)/(double)(INITIAL_TIME + NSTEPS - FINAL_CONSTANT_PHASE);
omega = N_TOSCILLATIONS*DPI/(double)(INITIAL_TIME + NSTEPS - FINAL_CONSTANT_PHASE);
bexponent = log(BETA_FACTOR)/(double)(NSTEPS - FINAL_CONSTANT_PHASE);
omega = N_TOSCILLATIONS*DPI/(double)(NSTEPS - FINAL_CONSTANT_PHASE);
first = 0;
}
if (i < INITIAL_TIME) beta = BETA;
@@ -411,16 +442,73 @@ double gravity_schedule(int i, int j)
{
double time, gravity;
if ((i < INITIAL_TIME)||(i > NSTEPS + INITIAL_TIME - GRAVITY_RESTORE_TIME)) return(GRAVITY);
if ((i < INITIAL_TIME + GRAVITY_INITIAL_TIME)||(i > NSTEPS + INITIAL_TIME - GRAVITY_RESTORE_TIME)) return(GRAVITY);
else
{
time = ((double)(i - INITIAL_TIME) + (double)j/(double)NVID)/(double)(NSTEPS - GRAVITY_RESTORE_TIME);
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);
}
}
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));
/* case of centrifuge */
// while (phase > DPI) phase -= DPI;
// angular_speed = 0.5*omegamax*(1.0 - cos(phase));
// return(0.5*omegamax*(phase - sin(phase)));
}
double rotation_schedule(int i)
{
double phase;
static int imin = INITIAL_TIME + ROTATE_INITIAL_TIME, imax = INITIAL_TIME + NSTEPS - ROTATE_FINAL_TIME;
if (i < imin)
{
angular_speed = 0.0;
return(0.0);
}
else
{
if (i > imax) i = imax;
phase = (DPI/(double)PERIOD_ROTATE_BOUNDARY)*(double)(i - imin);
return(rotation_angle(phase));
}
}
double rotation_schedule_smooth(int i, int j)
{
double phase;
static int imin = INITIAL_TIME + ROTATE_INITIAL_TIME, imax = INITIAL_TIME + NSTEPS - ROTATE_FINAL_TIME;
if (i < imin)
{
angular_speed = 0.0;
return(0.0);
}
else
{
if (i > imax) i = imax;
phase = (DPI/(double)PERIOD_ROTATE_BOUNDARY)*((double)(i - imin) + (double)j/(double)NVID);
return(rotation_angle(phase));
}
}
int thermostat_schedule(int i)
{
if (i < INITIAL_TIME) return(1);
else return(0);
}
double evolve_particles(t_particle particle[NMAXCIRCLES], t_hashgrid hashgrid[HASHX*HASHY],
double qx[NMAXCIRCLES], double qy[NMAXCIRCLES], double qangle[NMAXCIRCLES],
double px[NMAXCIRCLES], double py[NMAXCIRCLES], double pangle[NMAXCIRCLES],
@@ -449,7 +537,7 @@ double evolve_particles(t_particle particle[NMAXCIRCLES], t_hashgrid hashgrid[HA
qy[j] = particle[j].yc + 0.5*DT_PARTICLE*py[j]*particle[j].mass_inv;
qangle[j] = particle[j].angle + 0.5*DT_PARTICLE*pangle[j]*particle[j].inertia_moment_inv;
if ((THERMOSTAT)&&(particle[j].thermostat))
if ((THERMOSTAT_ON)&&(particle[j].thermostat))
{
px[j] *= exp(- 0.5*DT_PARTICLE*xi);
py[j] *= exp(- 0.5*DT_PARTICLE*xi);
@@ -467,7 +555,7 @@ double evolve_particles(t_particle particle[NMAXCIRCLES], t_hashgrid hashgrid[HA
// *nactive++;
}
totalenergy *= DIMENSION_FACTOR; /* normalize energy to take number of degrees of freedom into account */
if (THERMOSTAT)
if (THERMOSTAT_ON)
{
a = DT_PARTICLE*(totalenergy - (double)*nactive/beta)/MU_XI;
a += SIGMA*sqrt(DT_PARTICLE)*gaussian();
@@ -477,7 +565,7 @@ double evolve_particles(t_particle particle[NMAXCIRCLES], t_hashgrid hashgrid[HA
move = 0;
for (j=0; j<ncircles; j++) if (particle[j].active)
{
if ((THERMOSTAT)&&(particle[j].thermostat))
if ((THERMOSTAT_ON)&&(particle[j].thermostat))
{
px[j] *= exp(- 0.5*DT_PARTICLE*xi);
py[j] *= exp(- 0.5*DT_PARTICLE*xi);
@@ -570,6 +658,45 @@ void evolve_wall(double fboundary)
}
void evolve_segments(t_segment segment[NMAXSEGMENTS])
{
int i, nactive = 0;
double fx = 0.0, fy = 0.0;
for (i=0; i<nsegments; i++) if (segment[i].active)
{
fx += segment[i].fx;
fy += segment[i].fy;
nactive++;
}
if (nactive > 0)
{
fx = fx/(double)nactive;
fy = fy/(double)nactive;
}
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;
}
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)
{
xsegments = BCXMAX - 1.0;
vxsegments = 0.0;
}
translate_segments(segment, xsegments, ysegments);
}
void animation()
{
double time, scale, diss, rgb[3], dissip, gradient[2], x, y, dx, dy, dt, xleft, xright, a, b,
@@ -584,13 +711,15 @@ void animation()
static short int first = 1;
t_particle *particle;
t_obstacle *obstacle;
t_segment *segment;
t_tracer *trajectory;
t_hashgrid *hashgrid;
char message[100];
particle = (t_particle *)malloc(NMAXCIRCLES*sizeof(t_particle)); /* particles */
if (ADD_FIXED_OBSTACLES) obstacle = (t_obstacle *)malloc(NMAXOBSTACLES*sizeof(t_obstacle)); /* obstacles */
if (ADD_FIXED_OBSTACLES) obstacle = (t_obstacle *)malloc(NMAXOBSTACLES*sizeof(t_obstacle)); /* circular obstacles */
if (ADD_FIXED_SEGMENTS) segment = (t_segment *)malloc(NMAXSEGMENTS*sizeof(t_segment)); /* linear obstacles */
if (TRACER_PARTICLE) trajectory = (t_tracer *)malloc(TRAJECTORY_LENGTH*N_TRACER_PARTICLES*sizeof(t_tracer));
@@ -611,10 +740,11 @@ void animation()
xshift = OBSTACLE_XMIN;
if (ADD_FIXED_OBSTACLES) init_obstacle_config(obstacle);
if (ADD_FIXED_SEGMENTS) init_segment_config(segment);
if (RECORD_PRESSURES) for (i=0; i<N_PRESSURES; i++) pressure[i] = 0.0;
printf("1\n");
// printf("1\n");
nactive = initialize_configuration(particle, hashgrid, obstacle, px, py, pangle, tracer_n);
@@ -647,6 +777,14 @@ void animation()
xmincontainer = container_size_schedule(i);
if (SYMMETRIC_DECREASE) xmaxcontainer = -container_size_schedule(i);
}
if ((ROTATE_BOUNDARY)&&(!SMOOTH_ROTATION)) rotate_segments(segment, rotation_schedule(i));
if (VARY_THERMOSTAT)
{
thermostat_on = thermostat_schedule(i);
printf("Termostat: %i\n", thermostat_on);
}
if ((DEACTIVATE_SEGMENT)&&(i > INITIAL_TIME + SEGMENT_DEACTIVATION_TIME))
segment[nsegments-1].active = 0;
blank();
@@ -662,10 +800,18 @@ void animation()
xmincontainer = obstacle_schedule_smooth(i, n);
xshift = xmincontainer;
}
if ((ROTATE_BOUNDARY)&&(SMOOTH_ROTATION)) rotate_segments(segment, rotation_schedule_smooth(i,n));
if (INCREASE_GRAVITY) gravity = gravity_schedule(i,n);
if ((BOUNDARY_COND == BC_RECTANGLE_WALL)&&(i < INITIAL_TIME + WALL_TIME)) wall = 1;
else wall = 0;
if (MOVE_BOUNDARY) for (j=0; j<nsegments; j++)
{
segment[j].fx = 0.0;
segment[j].fy = 0.0;
}
compute_relative_positions(particle, hashgrid);
update_hashgrid(particle, hashgrid, 0);
@@ -680,7 +826,7 @@ void animation()
compute_particle_force(j, krepel, particle, hashgrid);
/* take care of boundary conditions */
fboundary += compute_boundary_force(j, particle, obstacle, xmincontainer, xmaxcontainer, &pleft, &pright, pressure, wall);
fboundary += compute_boundary_force(j, particle, obstacle, segment, xmincontainer, xmaxcontainer, &pleft, &pright, pressure, wall);
/* add gravity */
if (INCREASE_GRAVITY) particle[j].fy -= gravity;
@@ -707,8 +853,11 @@ void animation()
if (i < INITIAL_TIME + WALL_TIME) evolve_wall(fboundary);
else xwall = 0.0;
}
if (MOVE_BOUNDARY) evolve_segments(segment);
} /* end of for (n=0; n<NVID; n++) */
if (MOVE_BOUNDARY) printf("segments position (%.3lg, %.3lg), speed (%.3lg, %.3lg)\n", xsegments, ysegments, vxsegments, vysegments);
// if ((PARTIAL_THERMO_COUPLING))
if ((PARTIAL_THERMO_COUPLING)&&(i>N_T_AVERAGE))
{
@@ -770,16 +919,19 @@ void animation()
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT);
draw_container(xmincontainer, xmaxcontainer, obstacle, wall);
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
/* add a particle */
if ((ADD_PARTICLES)&&((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 + 1)%ADD_PERIOD == 0)&&(i < NSTEPS - FINAL_NOADD_PERIOD))
nadd_particle = add_particles(particle, px, py, nadd_particle);
/* case of reaction-diffusion equation */
if (REACTION_DIFFUSION) update_types(particle);
update_hashgrid(particle, hashgrid, 1);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), 0, pressure, gravity);
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
if ((BOUNDARY_COND == BC_EHRENFEST)||(BOUNDARY_COND == BC_RECTANGLE_WALL))
print_ehrenfest_parameters(particle, pleft, pright);
else if (PRINT_PARTICLE_NUMBER) print_particle_number(ncircles);
@@ -790,6 +942,9 @@ void animation()
printf("Entropy 1 = %.5lg, Entropy 2 = %.5lg\n", entropy[0], entropy[1]);
print_entropy(entropy);
}
if (PRINT_OMEGA) print_omega(angular_speed);
else if (PRINT_PARTICLE_SPEEDS) print_particles_speeds(particle);
glutSwapBuffers();
@@ -811,11 +966,13 @@ void animation()
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT_B);
draw_container(xmincontainer, xmaxcontainer, obstacle, wall);
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), 0, pressure, gravity);
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
if (BOUNDARY_COND == BC_EHRENFEST) print_ehrenfest_parameters(particle, pleft, pright);
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);
glutSwapBuffers();
save_frame_lj_counter(NSTEPS + MID_FRAMES + 1 + counter);
counter++;
@@ -839,11 +996,13 @@ void animation()
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT);
draw_container(xmincontainer, xmaxcontainer, obstacle, wall);
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), 0, pressure, gravity);
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
if (BOUNDARY_COND == BC_EHRENFEST) print_ehrenfest_parameters(particle, pleft, pright);
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);
glutSwapBuffers();
}
for (i=0; i<MID_FRAMES; i++) save_frame_lj();
@@ -851,11 +1010,13 @@ void animation()
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT_B);
draw_container(xmincontainer, xmaxcontainer, obstacle, wall);
draw_container(xmincontainer, xmaxcontainer, obstacle, segment, wall);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), 0, pressure, gravity);
fboundary/(double)(ncircles*NVID), PRINT_LEFT, pressure, gravity);
if (BOUNDARY_COND == BC_EHRENFEST) print_ehrenfest_parameters(particle, pleft, pright);
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);
glutSwapBuffers();
}
for (i=0; i<END_FRAMES; i++) save_frame_lj_counter(NSTEPS + MID_FRAMES + 1 + counter + i);
@@ -869,6 +1030,7 @@ void animation()
free(particle);
if (ADD_FIXED_OBSTACLES) free(obstacle);
if (ADD_FIXED_SEGMENTS) free(segment);
if (TRACER_PARTICLE) free(trajectory);
free(hashgrid);
free(qx);
@@ -883,6 +1045,12 @@ void animation()
void display(void)
{
time_t rawtime;
struct tm * timeinfo;
time(&rawtime);
timeinfo = localtime(&rawtime);
glPushMatrix();
blank();
@@ -897,6 +1065,10 @@ void display(void)
glutDestroyWindow(glutGetWindow());
printf("Start local time and date: %s", asctime(timeinfo));
time(&rawtime);
timeinfo = localtime(&rawtime);
printf("Current local time and date: %s", asctime(timeinfo));
}