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This commit is contained in:
Nils Berglund
2023-12-26 23:01:20 +01:00
committed by GitHub
parent 283ebb8ebf
commit 281cac4775
30 changed files with 2951 additions and 499 deletions
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230
lennardjones.c
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@@ -59,15 +59,14 @@
#define YMAX 1.125 /* y interval for 9/16 aspect ratio */
#define INITXMIN -2.0
#define INITXMAX 2.03 /* x interval for initial condition */
#define INITYMIN -1.1
#define INITYMAX 1.1 /* y interval for initial condition */
#define ADDXMIN -1.97
#define ADDXMAX -0.8 /* x interval for adding particles */
#define ADDYMIN -1.125
#define ADDYMAX 1.125 /* y interval for adding particles */
#define INITXMAX 2.0 /* x interval for initial condition */
#define INITYMIN -1.125
#define INITYMAX 1.125 /* y interval for initial condition */
#define ADDXMIN 1.9
#define ADDXMAX 2.0 /* x interval for adding particles */
#define ADDYMIN -0.9
#define ADDYMAX 0.9 /* y interval for adding particles */
#define BCXMIN -2.0
#define BCXMAX 2.0 /* x interval for boundary condition */
@@ -83,25 +82,25 @@
#define CIRCLE_PATTERN_B 1 /* pattern of circles for additional particles */
#define ADD_FIXED_OBSTACLES 0 /* set to 1 do add fixed circular obstacles */
#define OBSTACLE_PATTERN 4 /* pattern of obstacles, see list in global_ljones.c */
#define OBSTACLE_PATTERN 6 /* 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 25 /* 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 27 /* 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 */
#define NOZZLE_SHAPE_B 6 /* shape of nozzle for second rocket, see list in global_ljones.c */
#define TWO_TYPES 1 /* set to 1 to have two types of particles */
#define TYPE_PROPORTION 0.5 /* proportion of particles of first type */
#define TWOTYPE_CONFIG 2 /* choice of types, see TTC_ list in global_ljones.c */
#define TYPE_PROPORTION 1.0 /* proportion of particles of first type */
#define TWOTYPE_CONFIG 0 /* choice of types, see TTC_ list in global_ljones.c */
#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 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 12 /* particle interaction, see list in global_ljones.c */
#define INTERACTION_B 12 /* 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 */
@@ -111,9 +110,9 @@
#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 0.3 /* parameter controlling the dimensions of domain */
#define MU 0.014 /* parameter controlling radius of particles */
#define MU_B 0.01 /* parameter controlling radius of particles of second type */
#define LAMBDA 0.2 /* parameter controlling the dimensions of domain */
#define MU 0.01 /* parameter controlling radius of particles */
#define MU_B 0.012 /* parameter controlling radius of particles of second type */
#define NPOLY 40 /* number of sides of polygon */
#define APOLY 0.0 /* angle by which to turn polygon, in units of Pi/2 */
#define AWEDGE 0.5 /* opening angle of wedge, in units of Pi/2 */
@@ -122,12 +121,15 @@
#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 101 /* number of grid point for grid of disks */
#define NGRIDY 47 /* number of grid point for grid of disks */
#define NGRIDX 60 /* number of grid point for grid of disks */
#define NGRIDY 30 /* 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 DAM_WIDTH 0.05 /* width of dam for S_DAM segment configuration */
#define NOBSX 30
#define NOBSY 20 /* obstacles for O_HEX obstacle pattern */
#define NTREES 15 /* number of trees in S_TREES */
#define X_SHOOTER -0.2
#define Y_SHOOTER -0.6
@@ -136,14 +138,14 @@
/* Parameters for length and speed of simulation */
#define NSTEPS 3200 /* number of frames of movie */
#define NVID 15 /* number of iterations between images displayed on screen */
#define NSTEPS 2400 /* number of frames of movie */
#define NVID 30 /* 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 */
#define OBSTACLE_INITIAL_TIME 150 /* 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 */
#define CONTAINER_WIDTH 2 /* width of container boundary */
#define PAUSE 1000 /* number of frames after which to pause */
#define PSLEEP 1 /* sleep time during pause */
@@ -159,7 +161,13 @@
/* Plot type, see list in global_ljones.c */
#define PLOT 5
#define PLOT_B 11 /* plot type for second movie */
#define PLOT_B 13 /* plot type for second movie */
/* Background color depending on particle properties */
#define COLOR_BACKGROUND 1 /* set to 1 to color background */
#define BG_COLOR 2 /* type of background coloring, see list in global_ljones.c */
#define BG_COLOR_B 0 /* type of background coloring, see list in global_ljones.c */
#define DRAW_BONDS 1 /* set to 1 to draw bonds between neighbours */
#define COLOR_BONDS 1 /* set to 1 to color bonds according to length */
@@ -176,8 +184,10 @@
#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 10 /* Color palette for angle representation */
#define COLOR_PALETTE_DIRECTION 17 /* Color palette for direction representation */
#define COLOR_PALETTE_DIRECTION 17 /* Color palette for direction representation */
#define COLOR_PALETTE_INITIAL_POS 0 /* Color palette for initial position representation */
#define COLOR_PALETTE_DIFFNEIGH 10 /* Color palette for different neighbours representation */
#define COLOR_PALETTE_PRESSURE 11 /* Color palette for different neighbours representation */
#define BLACK 1 /* background */
@@ -193,15 +203,17 @@
#define LUMAMP 0.3 /* amplitude of luminosity variation for scheme C_LUM */
#define HUEMEAN 220.0 /* mean value of hue for color scheme C_HUE */
#define HUEAMP -50.0 /* amplitude of variation of hue for color scheme C_HUE */
#define COLOR_HUESHIFT 0.0 /* shift in color hue (for some cyclic palettes) */
#define COLOR_HUESHIFT -0.5 /* shift in color hue (for some cyclic palettes) */
#define PRINT_PARAMETERS 0 /* set to 1 to print certain parameters */
#define PRINT_PARAMETERS 1 /* set to 1 to print certain parameters */
#define PRINT_TEMPERATURE 0 /* set to 1 to print current temperature */
#define PRINT_ANGLE 0 /* set to 1 to print obstacle orientation */
#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 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 FORCE_FACTOR 0.1 /* factor controlling length of force vector */
/* particle properties */
@@ -210,41 +222,41 @@
#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 1000.0 /* energy of particle with hottest color */
#define HUE_TYPE0 280.0 /* hue of particles of type 0 */
#define HUE_TYPE1 60.0 /* hue of particles of type 1 */
#define PARTICLE_EMAX 10000.0 /* energy of particle with hottest color */
#define HUE_TYPE0 60.0 /* hue of particles of type 0 */
#define HUE_TYPE1 280.0 /* hue of particles of type 1 */
#define HUE_TYPE2 140.0 /* hue of particles of type 2 */
#define HUE_TYPE3 200.0 /* hue of particles of type 3 */
#define BG_FORCE_SLOPE 7.5e-8 /* contant in BG_FORCE backgound color scheme*/
#define RANDOM_RADIUS 0 /* set to 1 for random circle radius */
#define DT_PARTICLE 3.0e-6 /* time step for particle displacement */
#define KREPEL 1.0 /* constant in repelling force between particles */
#define EQUILIBRIUM_DIST 7.0 /* Lennard-Jones equilibrium distance */
#define EQUILIBRIUM_DIST_B 6.5 /* Lennard-Jones equilibrium distance for second type of particle */
#define REPEL_RADIUS 15.0 /* radius in which repelling force acts (in units of particle radius) */
#define DAMPING 0.02 /* damping coefficient of particles */
#define OMEGA_INITIAL 10.0 /* initial angular velocity range */
#define INITIAL_DAMPING 5.0 /* damping coefficient of particles during initial phase */
#define KREPEL 50.0 /* 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 3000.0 /* damping coefficient of particles */
#define INITIAL_DAMPING 5000.0 /* damping coefficient of particles during initial phase */
#define DAMPING_ROT 100.0 /* dampint coefficient for rotation of particles */
#define PARTICLE_MASS 1.0 /* mass of particle of radius MU */
#define PARTICLE_MASS_B 6.5 /* mass of particle of radius MU */
#define PARTICLE_MASS 2.0 /* 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 1000.0 /* initial velocity range */
#define V_INITIAL -50.0 /* initial velocity range */
#define OMEGA_INITIAL 10.0 /* 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 V_INITIAL_TYPE 1 /* type of initial speed distribution (see VI_ in global_ljones.c) */
#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 0.0002 /* initial inverse temperature */
#define BETA 0.00004 /* initial inverse temperature */
#define MU_XI 0.01 /* friction constant in thermostat */
#define KSPRING_BOUNDARY 1.0e7 /* confining harmonic potential outside simulation region */
#define KSPRING_OBSTACLE 1.0e11 /* harmonic potential of obstacles */
#define NBH_DIST_FACTOR 3.8 /* radius in which to count neighbours */
#define KSPRING_BOUNDARY 2.0e11 /* confining harmonic potential outside simulation region */
#define KSPRING_OBSTACLE 2.0e11 /* harmonic potential of obstacles */
#define NBH_DIST_FACTOR 3.2 /* radius in which to count neighbours */
#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 */
@@ -256,14 +268,19 @@
#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 1 /* set to 1 to add an electric field */
#define EFIELD 10000.0 /* value of electric field */
#define ADD_EFIELD 0 /* set to 1 to add an electric field */
#define EFIELD 200000.0 /* value of electric field */
#define ADD_BFIELD 0 /* set to 1 to add a magnetic field */
#define BFIELD 1000.0 /* value of magnetic field */
#define CHARGE 0.0 /* charge of particles of first type */
#define CHARGE_B 1.0 /* charge of particles of second type */
#define BFIELD 10000.0 /* value of magnetic field */
#define CHARGE 1.5 /* charge of particles of first type */
#define CHARGE_B -1.0 /* charge of particles of second type */
#define INCREASE_E 0 /* set to 1 to increase electric field */
#define EFIELD_FACTOR 1000.0 /* factor by which to increase electric field */
#define EFIELD_FACTOR 1000000.0 /* factor by which to increase electric field */
#define INCREASE_B 0 /* set to 1 to increase magnetic field */
#define BFIELD_FACTOR 10000.0 /* factor by which to increase magnetic field */
#define CHARGE_OBSTACLES 1 /* set to 1 for obstacles to be charged */
#define OBSTACLE_CHARGE 3.0 /* charge of obstacles */
#define KCOULOMB_OBSTACLE 1000.0 /* Coulomb force constant for charged obstacles */
#define ROTATION 0 /* 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 */
@@ -274,30 +291,30 @@
#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 */
#define DRAW_SPIN_B 0 /* set to 1 to draw spin vectors of particles */
#define DRAW_CROSS 0 /* set to 1 to draw cross on particles of second type */
#define DRAW_CROSS 1 /* set to 1 to draw cross on particles of second type */
#define SPIN_RANGE 10.0 /* range of spin-spin interaction */
#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 0 /* set to 1 to increase 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 MIDDLE_CONSTANT_PHASE 2000 /* final phase in which temperature is constant */
#define FINAL_DECREASE_PHASE 1300 /* final phase in which temperature decreases */
#define INCREASE_BETA 1 /* set to 1 to increase BETA during simulation */
#define BETA_FACTOR 5.0 /* factor by which to change BETA during simulation */
#define N_TOSCILLATIONS 2.5 /* number of temperature oscillations in BETA schedule */
#define NO_OSCILLATION 0 /* set to 1 to have exponential BETA change only */
#define MIDDLE_CONSTANT_PHASE 0 /* final phase in which temperature is constant */
#define FINAL_DECREASE_PHASE 0 /* final phase in which temperature decreases */
#define FINAL_CONSTANT_PHASE -1 /* 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 */
#define COMPRESSION_RATIO 0.3 /* final size of container */
#define RESTORE_CONTAINER_SIZE 1 /* set to 1 to restore container to initial size at end of simulation */
#define RESTORE_TIME 700 /* time before end of sim at which to restore size */
#define RESTORE_TIME 1200 /* time before end of sim at which to restore size */
#define MOVE_OBSTACLE 0 /* set to 1 to have a moving obstacle */
#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 0.015 /* 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 */
@@ -321,8 +338,8 @@
#define ADD_PARTICLES 0 /* set to 1 to add particles */
#define ADD_TIME 0 /* time at which to add first particle */
#define ADD_PERIOD 10 /* time interval between adding further particles */
#define N_ADD_PARTICLES 2 /* number of particles to add */
#define ADD_PERIOD 4 /* time interval between adding further particles */
#define N_ADD_PARTICLES 3 /* number of particles to add */
#define FINAL_NOADD_PERIOD 0 /* 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 */
@@ -346,12 +363,12 @@
#define DEACTIVATE_SEGMENT 1 /* set to 1 to deactivate last segment after a certain time */
#define SEGMENT_DEACTIVATION_TIME 20 /* time at which to deactivate last segment */
#define RELEASE_ROCKET_AT_DEACTIVATION 0 /* set to 1 to limit segments velocity before segment release */
#define SEGMENTS_X0 0.0 /* initial position of segments */
#define SEGMENTS_Y0 -0.6 /* initial position of segments */
#define SEGMENTS_X0 1.5 /* initial position of segments */
#define SEGMENTS_Y0 0.0 /* initial position of segments */
#define SEGMENTS_VX0 0.0 /* initial velocity of segments */
#define SEGMENTS_VY0 0.0 /* initial velocity of segments */
#define DAMP_SEGS_AT_NEGATIVE_Y 0 /* set to 1 to dampen segments when y coordinate is negative */
#define SHOW_SEGMENTS_PRESSURE 0 /* set to 1 to show (averaged) pressure acting on segments */
#define SHOW_SEGMENTS_PRESSURE 1 /* set to 1 to show (averaged) pressure acting on segments */
#define SEGMENT_PMAX 7.5e7 /* pressure of segment with hottest color */
#define P_AVRG_FACTOR 0.02 /* factor in computation of mean pressure */
@@ -406,6 +423,16 @@
#define WALL_VMAX 100.0 /* max speed of wall */
#define WALL_TIME 0 /* time during which to keep wall */
#define CHANGE_TYPES 0 /* set to 1 to change type proportion in course of simulation */
#define PROP_MIN 0.1 /* min proportion of type 1 particles */
#define PROP_MAX 0.9 /* max proportion of type 1 particles */
#define PAIR_PARTICLES 1 /* set to 1 to form particles pairs */
#define KSPRING_PAIRS 1.0e10 /* spring constant for pair interaction */
#define NPARTNERS 2 /* number of partners of particles */
#define PAIRING_TYPE 1 /* type of pairing, see POLY_ in global_ljones.c */
#define PARTNER_ANGLE 104.45 /* angle (in degrees) between anions for POLY_WATER case */
#define NXMAZE 12 /* width of maze */
#define NYMAZE 12 /* height of maze */
#define MAZE_MAX_NGBH 4 /* max number of neighbours of maze cell */
@@ -418,8 +445,8 @@
#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 100 /* size of hashgrid in x direction */
#define HASHY 50 /* 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 */
@@ -457,8 +484,8 @@ double sinangle[NSEG+1]; /* precomputed trig functions of angles to draw ci
#include "global_ljones.c"
#include "sub_maze.c"
#include "sub_lj.c"
#include "sub_hashgrid.c"
#include "sub_lj.c"
FILE *lj_time_series, *lj_final_position;
@@ -501,6 +528,23 @@ double efield_schedule(int i)
}
double bfield_schedule(int i)
{
static double bfactor;
static int first = 1;
double bfield;
if (first)
{
bfactor = BFIELD_FACTOR/(double)(INITIAL_TIME + NSTEPS);
first = 0;
}
bfield = BFIELD*(double)i*bfactor;
printf("B = %.3lg\n", bfield);
return(bfield);
}
double temperature_schedule(int i)
{
static double bexponent, omega, bexp2;
@@ -728,11 +772,11 @@ double radius_schedule(int i)
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],
double beta, int *nactive, int *nsuccess, int *nmove, int initial_phase)
double beta, int *nactive, int *nsuccess, int *nmove, int *ncoupled, int initial_phase)
{
double a, totalenergy = 0.0, damping, direction, dmean;
static double b = 0.25*SIGMA*SIGMA*DT_PARTICLE/MU_XI, xi = 0.0;
int j, move;
int j, move, ncoup;
if (initial_phase) damping = INITIAL_DAMPING;
else damping = DAMPING;
@@ -782,16 +826,20 @@ double evolve_particles(t_particle particle[NMAXCIRCLES], t_hashgrid hashgrid[HA
/* compute kinetic energy */
// *nactive = 0;
ncoup = 1;
for (j=0; j<ncircles; j++)
if ((particle[j].active)&&(particle[j].thermostat))
{
totalenergy += particle[j].energy;
ncoup++;
// *nactive++;
}
totalenergy *= DIMENSION_FACTOR; /* normalize energy to take number of degrees of freedom into account */
if (THERMOSTAT_ON)
{
a = DT_PARTICLE*(totalenergy - (double)*nactive/beta)/MU_XI;
/* TODO - fix nactive vs ncoupled */
// a = DT_PARTICLE*(totalenergy - (double)*nactive/beta)/MU_XI;
a = DT_PARTICLE*(totalenergy - (double)ncoup/beta)/MU_XI;
a += SIGMA*sqrt(DT_PARTICLE)*gaussian();
xi = (xi + a - b*xi)/(1.0 + b);
}
@@ -860,6 +908,7 @@ double evolve_particles(t_particle particle[NMAXCIRCLES], t_hashgrid hashgrid[HA
// }
}
*ncoupled = ncoup;
return(totalenergy);
}
@@ -1164,12 +1213,12 @@ void evolve_segment_groups(t_segment segment[NMAXSEGMENTS], int time, t_group_se
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, ymin, ymax, delta_energy, speed, ratio = 1.0, ratioc, cum_etot = 0.0, emean = 0.0, radius_ratio;
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, ymin, ymax, delta_energy, speed, ratio = 1.0, ratioc, cum_etot = 0.0, emean = 0.0, radius_ratio, t;
double *qx, *qy, *px, *py, *qangle, *pangle, *pressure, *obstacle_speeds;
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, 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;
group, gshift, n_total_active = 0, ncollisions = 0, ncoupled = 1;
int *particle_numbers;
static int imin, imax;
static short int first = 1;
@@ -1261,6 +1310,8 @@ void animation()
printf("Initializing configuration\n");
params.nactive = initialize_configuration(particle, hashgrid, obstacle, px, py, pangle, tracer_n, segment);
printf("%i active particles\n", params.nactive);
// xi = 0.0;
@@ -1288,6 +1339,7 @@ void animation()
if (INCREASE_KREPEL) params.krepel = repel_schedule(i);
if (INCREASE_BETA) params.beta = temperature_schedule(i);
if (INCREASE_E) params.efield = efield_schedule(i);
if (INCREASE_B) params.bfield = bfield_schedule(i);
if (DECREASE_CONTAINER_SIZE)
{
params.xmincontainer = container_size_schedule(i);
@@ -1368,7 +1420,7 @@ void animation()
compute_particle_force(j, params.krepel, particle, hashgrid);
/* take care of boundary conditions */
params.fboundary += compute_boundary_force(j, particle, obstacle, segment, params.xmincontainer, params.xmaxcontainer, &pleft, &pright, pressure, wall);
params.fboundary += compute_boundary_force(j, particle, obstacle, segment, params.xmincontainer, params.xmaxcontainer, &pleft, &pright, pressure, wall, params.krepel);
/* align velocities in case of Vicsek models */
// if (VICSEK_INT)
@@ -1414,10 +1466,8 @@ void animation()
/* add magnetic force */
if (ADD_BFIELD)
{
// particle[j].fx += BFIELD*particle[j].charge*particle[j].vy;
// particle[j].fy -= BFIELD*particle[j].charge*particle[j].vx;
particle[j].fx += BFIELD*particle[j].charge*particle[j].vy*particle[j].mass_inv;
particle[j].fy -= BFIELD*particle[j].charge*particle[j].vx*particle[j].mass_inv;
particle[j].fx += params.bfield*particle[j].charge*particle[j].vy*particle[j].mass_inv;
particle[j].fy -= params.bfield*particle[j].charge*particle[j].vx*particle[j].mass_inv;
}
if (FLOOR_FORCE)
@@ -1432,7 +1482,7 @@ void animation()
}
/* timestep of thermostat algorithm */
totalenergy = evolve_particles(particle, hashgrid, qx, qy, qangle, px, py, pangle, params.beta, &params.nactive, &nsuccess, &nmove, i < INITIAL_TIME);
totalenergy = evolve_particles(particle, hashgrid, qx, qy, qangle, px, py, pangle, params.beta, &params.nactive, &nsuccess, &nmove, &ncoupled, i < INITIAL_TIME);
/* evolution of lid coordinate */
@@ -1529,6 +1579,7 @@ void animation()
}
printf("Mean kinetic energy: %.3f\n", totalenergy/(double)ncircles);
printf("Kinetic energy by coupled particle: %.3f\n", totalenergy/(double)ncoupled);
if ((!THERMOSTAT)&&(LIMIT_ENERGY))
{
@@ -1582,9 +1633,17 @@ void animation()
}
// draw_collisions(collisions, ncollisions);
}
/* case of varying type proportion */
if (CHANGE_TYPES)
{
t = (double)i/(double)NSTEPS;
params.prop = PROP_MIN*(1.0-t) + PROP_MAX*t;
change_type_proportion(particle, params.prop);
}
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT, params.beta, collisions, ncollisions);
draw_particles(particle, PLOT, params.beta, collisions, ncollisions, BG_COLOR, hashgrid);
draw_container(params.xmincontainer, params.xmaxcontainer, obstacle, segment, wall);
/* add a particle */
@@ -1592,6 +1651,9 @@ void animation()
{
for (k=0; k<N_ADD_PARTICLES; k++)
nadd_particle = add_particles(particle, px, py, nadd_particle);
// params.nactive = nadd_particle;
params.nactive = 0;
for (j=0; j<ncircles; j++) if (particle[j].active) params.nactive++;
}
/* change particle radius */
@@ -1670,7 +1732,7 @@ void animation()
if ((i >= INITIAL_TIME)&&(DOUBLE_MOVIE))
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT_B, params.beta, collisions, ncollisions);
draw_particles(particle, PLOT_B, params.beta, collisions, ncollisions, BG_COLOR_B, hashgrid);
draw_container(params.xmincontainer, params.xmaxcontainer, obstacle, segment, wall);
if (PRINT_PARAMETERS) print_parameters(params, PRINT_LEFT, pressure, 0);
if (PLOT_SPEEDS) draw_speed_plot(group_speeds, i);
@@ -1722,7 +1784,7 @@ void animation()
{
blank();
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT, params.beta, collisions, ncollisions);
draw_particles(particle, PLOT, params.beta, collisions, ncollisions, BG_COLOR, hashgrid);
draw_container(params.xmincontainer, params.xmaxcontainer, obstacle, segment, wall);
if (PRINT_PARAMETERS) print_parameters(params, PRINT_LEFT, pressure, 1);
if (PLOT_SPEEDS) draw_speed_plot(group_speeds, i);
@@ -1748,7 +1810,7 @@ void animation()
if (DOUBLE_MOVIE)
{
if (TRACER_PARTICLE) draw_trajectory(trajectory, traj_position, traj_length);
draw_particles(particle, PLOT_B, params.beta, collisions, ncollisions);
draw_particles(particle, PLOT_B, params.beta, collisions, ncollisions, BG_COLOR_B, hashgrid);
draw_container(params.xmincontainer, params.xmaxcontainer, obstacle, segment, wall);
if (PRINT_PARAMETERS) print_parameters(params, PRINT_LEFT, pressure, 0);
if (PLOT_SPEEDS) draw_speed_plot(group_speeds, i);