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nilsberglund-orleans
2022-04-12 19:20:18 +02:00
committed by GitHub
parent 6d878e89dd
commit 65aa6866be
14 changed files with 3174 additions and 448 deletions
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219
lennardjones.c
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@@ -38,7 +38,7 @@
#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 */
@@ -53,10 +53,10 @@
#define YMIN -1.125
#define YMAX 1.125 /* y interval for 9/16 aspect ratio */
#define INITXMIN -1.85
#define INITXMAX 1.85 /* x interval for initial condition */
#define INITYMIN -0.9
#define INITYMAX 0.9 /* y interval for initial condition */
#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 BCXMIN -2.0
#define BCXMAX 2.0 /* x interval for boundary condition */
@@ -69,38 +69,39 @@
#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 OBSTACLE_PATTERN 0 /* pattern of obstacles, see list in global_ljones.c */
#define OBSTACLE_PATTERN 2 /* pattern of obstacles, 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 0 /* set to 1 to symmetrize two-particle interaction, only needed if particles are not all the same */
#define SYMMETRIZE_FORCE 1 /* set to 1 to symmetrize two-particle interaction, only needed if particles are not all the same */
#define CENTER_PX 0 /* set to 1 to center horizontal momentum */
#define CENTER_PY 0 /* set to 1 to center vertical momentum */
#define CENTER_PANGLE 0 /* set to 1 to center angular momentum */
#define INTERACTION 3 /* particle interaction, 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 5.0 /* angular frequency of spin-spin interaction */
#define SPIN_INTER_FREQUENCY_B 2.0 /* angular frequency of spin-spin interaction for second particle type */
#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 1.8 /* minimal distance in Poisson disc process, controls density of particles */
#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_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 0.045 /* parameter controlling radius of particles */
#define MU_B 0.02427051 /* parameter controlling radius of particles of second type */
#define MU 0.015 /* 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 0.0 /* angle by which to turn polygon, in units of Pi/2 */
#define APOLY 0.125 /* 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 10 /* number of grid point for grid of disks */
#define NGRIDY 3 /* number of grid point for grid of disks */
#define NGRIDX 30 /* number of grid point for grid of disks */
#define NGRIDY 20 /* 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 */
@@ -111,10 +112,11 @@
/* Parameters for length and speed of simulation */
#define NSTEPS 3750 /* number of frames of movie */
#define NVID 100 /* number of iterations between images displayed on screen */
#define NSEG 150 /* number of segments of boundary */
#define INITIAL_TIME 0 /* time after which to start saving frames */
#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 NSEG 250 /* number of segments of boundary */
#define INITIAL_TIME 20 /* 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 */
@@ -128,18 +130,18 @@
/* Boundary conditions, see list in global_ljones.c */
#define BOUNDARY_COND 13
#define BOUNDARY_COND 14
/* Plot type, see list in global_ljones.c */
#define PLOT 4
#define PLOT_B 3 /* plot type for second movie */
#define PLOT 5
#define PLOT_B 4 /* plot type for second movie */
#define COLOR_BONDS 1 /* set to 1 to color bonds according to length */
/* Color schemes */
#define COLOR_PALETTE 0 /* Color palette, see list in global_ljones.c */
#define COLOR_PALETTE 10 /* Color palette, see list in global_ljones.c */
#define BLACK 1 /* background */
@@ -162,35 +164,42 @@
#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 5.0e2 /* energy of particle with hottest color */
#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 135.0 /* hue of particles of type 1 */
#define HUE_TYPE2 70.0 /* hue of particles of type 1 */
#define HUE_TYPE3 210.0 /* hue of particles of type 1 */
#define RANDOM_RADIUS 0 /* set to 1 for random circle radius */
#define DT_PARTICLE 1.0e-6 /* time step for particle displacement */
#define KREPEL 10.0 /* constant in repelling force between particles */
#define EQUILIBRIUM_DIST 6.0 /* Lennard-Jones equilibrium distance for second type of particle */
#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_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 */
#define PARTICLE_MASS 1.0 /* mass of particle of radius MU */
#define PARTICLE_MASS_B 0.1 /* mass of particle of radius MU */
#define PARTICLE_INERTIA_MOMENT 0.02 /* moment of inertia of particle */
#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 OMEGA_INITIAL 10.0 /* initial angular velocity range */
#define THERMOSTAT 1 /* set to 1 to switch on thermostat */
#define SIGMA 5.0 /* noise intensity in thermostat */
#define BETA 0.002 /* initial inverse temperature */
#define MU_XI 0.05 /* friction constant in thermostat */
#define KSPRING_BOUNDARY 5.0e8 /* confining harmonic potential outside simulation region */
#define BETA 0.0001 /* 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 3.5 /* radius in which to count neighbours */
#define GRAVITY 0.0 /* gravity acting on all particles */
#define NBH_DIST_FACTOR 4.0 /* radius in which to count neighbours */
#define GRAVITY 0.0 /* 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 ROTATION 1 /* set to 1 to include rotation of particles */
#define COUPLE_ANGLE_TO_THERMOSTAT 1 /* set to 1 to couple angular degrees of freedom to thermostat */
#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 600.0 /* force constant in angular dynamics */
#define KTORQUE 50.0 /* 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 */
@@ -200,8 +209,8 @@
#define SPIN_RANGE_B 5.0 /* range of spin-spin interaction for second type of particle */
#define QUADRUPOLE_RATIO 0.6 /* anisotropy in quadrupole potential */
#define INCREASE_BETA 1 /* set to 1 to increase BETA during simulation */
#define BETA_FACTOR 500.0 /* factor by which to change BETA during simulation */
#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 */
@@ -216,16 +225,17 @@
#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 0.15 /* radius of obstacle for circle boundary conditions */
#define OBSTACLE_RADIUS 0.12 /* 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 */
#define RECORD_PRESSURES 0 /* set to 1 to record pressures on obstacle */
#define N_PRESSURES 100 /* number of intervals to record pressure */
#define N_P_AVERAGE 100 /* size of pressure averaging window */
#define MAX_PRESSURE 3.0e10 /* pressure shown in "hottest" color */
#define N_T_AVERAGE 50 /* size of temperature averaging window */
#define PARTIAL_THERMO_COUPLING 1 /* set to 1 to couple only particles to the right of obstacle to thermostat */
#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_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 */
#define KREPEL_FACTOR 1000.0 /* factor by which to change KREPEL during simulation */
@@ -240,12 +250,14 @@
#define FINAL_NOADD_PERIOD 250 /* 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 0 /* set to 1 to have a tracer particle */
#define TRAJECTORY_LENGTH 6000 /* length of recorded trajectory */
#define TRACER_PARTICLE_MASS 0.1 /* relative mass of tracer particle */
#define TRACER_PARTICLE 1 /* 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 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 PRINT_PARTICLE_NUMBER 0 /* set to 1 to print total number of particles */
@@ -254,14 +266,19 @@
#define LID_MASS 1000.0 /* mass of lid for BC_RECTANGLE_LID b.c. */
#define LID_WIDTH 0.1 /* width of lid for BC_RECTANGLE_LID b.c. */
#define WALL_MASS 2000.0 /* mass of wall for BC_RECTANGLE_WALL b.c. */
#define WALL_FRICTION 0.0 /* friction on wall for BC_RECTANGLE_WALL b.c. */
#define WALL_WIDTH 0.1 /* width of wall for BC_RECTANGLE_WALL b.c. */
#define WALL_VMAX 100.0 /* max speed of wall */
#define WALL_TIME 500 /* time during which to keep wall */
#define FLOOR_FORCE 0 /* set to 1 to limit force on particle to FMAX */
#define FLOOR_FORCE 1 /* set to 1 to limit force on particle to FMAX */
#define FMAX 1.0e9 /* maximal force */
#define FLOOR_OMEGA 0 /* set to 1 to limit particle momentum to PMAX */
#define PMAX 10.0 /* maximal force */
#define FLOOR_OMEGA 1 /* set to 1 to limit particle momentum to PMAX */
#define PMAX 1000.0 /* maximal force */
#define HASHX 30 /* size of hashgrid in x direction */
#define HASHY 20 /* size of hashgrid in y direction */
#define HASHX 34 /* size of hashgrid in x direction */
#define HASHY 18 /* 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 */
@@ -270,13 +287,15 @@
#define COLORBAR_RANGE_B 12.0 /* scale of color scheme bar for 2nd part */
#define ROTATE_COLOR_SCHEME 0 /* set to 1 to draw color scheme horizontally */
#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))
#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))
double xshift = 0.0; /* x shift of shown window */
double xspeed = 0.0; /* x speed of obstacle */
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 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.) */
#include "global_ljones.c"
#include "sub_lj.c"
@@ -388,6 +407,20 @@ double obstacle_schedule_smooth(int i, int j)
}
}
double gravity_schedule(int i, int j)
{
double time, gravity;
if ((i < 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);
gravity = GRAVITY*(1.0 + time*(GRAVITY_FACTOR - 1.0));
// printf("i = %i, time = %.3lg, Gravity = %.3lg\n", i, time, gravity);
return(gravity);
}
}
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],
@@ -513,22 +546,40 @@ void evolve_lid(double fboundary)
force = fboundary - GRAVITY*LID_MASS;
if (ylid > BCYMAX + LID_WIDTH) force -= KSPRING_BOUNDARY*(ylid - BCYMAX - LID_WIDTH);
// printf("Force on lid = %.3lg\n", force);
vylid += force*DT_PARTICLE/LID_MASS;
ylid += vylid*DT_PARTICLE;
// if (ylid > BCYMAX + LID_WIDTH) ylid = BCYMAX;
}
void evolve_wall(double fboundary)
{
double force;
force = fboundary;
if (xwall > BCYMAX - WALL_WIDTH) force -= KSPRING_BOUNDARY*(xwall - BCYMAX + WALL_WIDTH);
else if (xwall < BCYMIN + WALL_WIDTH) force += KSPRING_BOUNDARY*(BCYMIN + WALL_WIDTH - xwall);
force -= vxwall*WALL_FRICTION;
vxwall += fboundary*DT_PARTICLE/WALL_MASS;
if (vxwall > WALL_VMAX) vxwall = WALL_VMAX;
else if (vxwall < -WALL_VMAX) vxwall = -WALL_VMAX;
xwall += vxwall*DT_PARTICLE;
// printf("fboundary = %.3lg, xwall = %.3lg, vxwall = %.3lg\n", fboundary, xwall, vxwall);
}
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, krepel = KREPEL, pos[2], prop, vx,
beta = BETA, xi = 0.0, xmincontainer = INITXMIN, xmaxcontainer = INITXMAX, torque, torque_ij,
fboundary = 0.0, pleft = 0.0, pright = 0.0, entropy[2], mean_energy;
beta = BETA, xi = 0.0, xmincontainer = BCXMIN, xmaxcontainer = BCXMAX, torque, torque_ij,
fboundary = 0.0, pleft = 0.0, pright = 0.0, entropy[2], mean_energy, gravity = GRAVITY;
double *qx, *qy, *px, *py, *qangle, *pangle, *pressure;
int i, j, k, n, m, s, ij[2], i0, iplus, iminus, j0, jplus, jminus, p, q, p1, q1, p2, q2, total_neighbours = 0,
min_nb, max_nb, close, wrapx = 0, wrapy = 0, nactive = 0, nadd_particle = 0, nmove = 0, nsuccess = 0,
tracer_n, traj_position = 0, traj_length = 0, move = 0, old, m0, floor, nthermo;
tracer_n[N_TRACER_PARTICLES], traj_position = 0, traj_length = 0, move = 0, old, m0, floor, nthermo, wall = 0;
static int imin, imax;
static short int first = 1;
t_particle *particle;
@@ -541,7 +592,7 @@ void animation()
particle = (t_particle *)malloc(NMAXCIRCLES*sizeof(t_particle)); /* particles */
if (ADD_FIXED_OBSTACLES) obstacle = (t_obstacle *)malloc(NMAXOBSTACLES*sizeof(t_obstacle)); /* obstacles */
if (TRACER_PARTICLE) trajectory = (t_tracer *)malloc(TRAJECTORY_LENGTH*sizeof(t_tracer));
if (TRACER_PARTICLE) trajectory = (t_tracer *)malloc(TRAJECTORY_LENGTH*N_TRACER_PARTICLES*sizeof(t_tracer));
hashgrid = (t_hashgrid *)malloc(HASHX*HASHY*sizeof(t_hashgrid)); /* hashgrid */
@@ -558,12 +609,14 @@ void animation()
init_hashgrid(hashgrid);
xshift = OBSTACLE_XMIN;
if (ADD_FIXED_OBSTACLES) init_obstacle_config(obstacle);
if (RECORD_PRESSURES) for (i=0; i<N_PRESSURES; i++) pressure[i] = 0.0;
nactive = initialize_configuration(particle, hashgrid, obstacle, px, py, pangle);
printf("1\n");
nactive = initialize_configuration(particle, hashgrid, obstacle, px, py, pangle, tracer_n);
// xi = 0.0;
@@ -609,6 +662,9 @@ void animation()
xmincontainer = obstacle_schedule_smooth(i, n);
xshift = xmincontainer;
}
if (INCREASE_GRAVITY) gravity = gravity_schedule(i,n);
if ((BOUNDARY_COND == BC_RECTANGLE_WALL)&&(i < INITIAL_TIME + WALL_TIME)) wall = 1;
else wall = 0;
compute_relative_positions(particle, hashgrid);
update_hashgrid(particle, hashgrid, 0);
@@ -624,10 +680,11 @@ 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);
fboundary += compute_boundary_force(j, particle, obstacle, xmincontainer, xmaxcontainer, &pleft, &pright, pressure, wall);
/* add gravity */
particle[j].fy -= GRAVITY;
if (INCREASE_GRAVITY) particle[j].fy -= gravity;
else particle[j].fy -= GRAVITY;
if (FLOOR_FORCE)
{
@@ -645,12 +702,17 @@ void animation()
/* evolution of lid coordinate */
if (BOUNDARY_COND == BC_RECTANGLE_LID) evolve_lid(fboundary);
if (BOUNDARY_COND == BC_RECTANGLE_WALL)
{
if (i < INITIAL_TIME + WALL_TIME) evolve_wall(fboundary);
else xwall = 0.0;
}
} /* end of for (n=0; n<NVID; n++) */
// if ((PARTIAL_THERMO_COUPLING))
if ((PARTIAL_THERMO_COUPLING)&&(i>N_T_AVERAGE))
{
nthermo = partial_thermostat_coupling(particle, xshift + OBSTACLE_RADIUS);
nthermo = partial_thermostat_coupling(particle, xshift + PARTIAL_THERMO_SHIFT);
printf("%i particles coupled to thermostat out of %i active\n", nthermo, nactive);
mean_energy = compute_mean_energy(particle);
}
@@ -673,10 +735,13 @@ void animation()
/* update tracer particle trajectory */
if ((TRACER_PARTICLE)&&(i > INITIAL_TIME))
if ((TRACER_PARTICLE)&&(i > INITIAL_TIME))
{
trajectory[traj_position].xc = particle[tracer_n].xc;
trajectory[traj_position].yc = particle[tracer_n].yc;
for (j=0; j<N_TRACER_PARTICLES; j++)
{
trajectory[j*TRAJECTORY_LENGTH + traj_position].xc = particle[tracer_n[j]].xc;
trajectory[j*TRAJECTORY_LENGTH + traj_position].yc = particle[tracer_n[j]].yc;
}
traj_position++;
if (traj_position >= TRAJECTORY_LENGTH) traj_position = 0;
traj_length++;
@@ -688,6 +753,7 @@ void animation()
printf("Mean kinetic energy: %.3f\n", totalenergy/(double)ncircles);
printf("Boundary force: %.3f\n", fboundary/(double)(ncircles*NVID));
if (RESAMPLE_Y) printf("%i succesful moves out of %i trials\n", nsuccess, nmove);
if (INCREASE_GRAVITY) printf("Gravity: %.3f\n", gravity);
total_neighbours = 0;
min_nb = 100;
@@ -704,7 +770,7 @@ void animation()
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT);
draw_container(xmincontainer, xmaxcontainer, obstacle);
draw_container(xmincontainer, xmaxcontainer, obstacle, wall);
/* add a particle */
if ((ADD_PARTICLES)&&((i - INITIAL_TIME - ADD_TIME + 1)%ADD_PERIOD == 0)&&(i < NSTEPS - FINAL_NOADD_PERIOD))
@@ -713,11 +779,12 @@ void animation()
update_hashgrid(particle, hashgrid, 1);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), 1, pressure);
if (BOUNDARY_COND == BC_EHRENFEST) print_ehrenfest_parameters(particle, pleft, pright);
fboundary/(double)(ncircles*NVID), 0, 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);
if (PRINT_ENTROPY)
if ((i > INITIAL_TIME + WALL_TIME)&&(PRINT_ENTROPY))
{
compute_entropy(particle, entropy);
printf("Entropy 1 = %.5lg, Entropy 2 = %.5lg\n", entropy[0], entropy[1]);
@@ -744,9 +811,9 @@ void animation()
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT_B);
draw_container(xmincontainer, xmaxcontainer, obstacle);
draw_container(xmincontainer, xmaxcontainer, obstacle, wall);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), 0, pressure);
fboundary/(double)(ncircles*NVID), 0, pressure, gravity);
if (BOUNDARY_COND == BC_EHRENFEST) print_ehrenfest_parameters(particle, pleft, pright);
else if (PRINT_PARTICLE_NUMBER) print_particle_number(ncircles);
glutSwapBuffers();
@@ -772,9 +839,9 @@ void animation()
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT);
draw_container(xmincontainer, xmaxcontainer, obstacle);
draw_container(xmincontainer, xmaxcontainer, obstacle, wall);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), 0, pressure);
fboundary/(double)(ncircles*NVID), 0, pressure, gravity);
if (BOUNDARY_COND == BC_EHRENFEST) print_ehrenfest_parameters(particle, pleft, pright);
else if (PRINT_PARTICLE_NUMBER) print_particle_number(ncircles);
glutSwapBuffers();
@@ -784,9 +851,9 @@ void animation()
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT_B);
draw_container(xmincontainer, xmaxcontainer, obstacle);
draw_container(xmincontainer, xmaxcontainer, obstacle, wall);
print_parameters(beta, mean_energy, krepel, xmaxcontainer - xmincontainer,
fboundary/(double)(ncircles*NVID), 0, pressure);
fboundary/(double)(ncircles*NVID), 0, pressure, gravity);
if (BOUNDARY_COND == BC_EHRENFEST) print_ehrenfest_parameters(particle, pleft, pright);
else if (PRINT_PARTICLE_NUMBER) print_particle_number(ncircles);
glutSwapBuffers();