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Nils Berglund
2022-11-20 23:17:39 +01:00
committed by GitHub
parent 30fc3e5a8b
commit cb2bcdb13d
21 changed files with 1625 additions and 288 deletions
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115
lennardjones.c
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@@ -37,42 +37,32 @@
#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 DOUBLE_MOVIE 1 /* 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 */
#define TIME_LAPSE_FIRST 1 /* set to 1 to show time-lapse version first */
#define TIME_LAPSE_FIRST 0 /* set to 1 to show time-lapse version first */
/* General geometrical parameters */
#define WINWIDTH 1280 /* window width */
#define WINHEIGHT 720 /* window height */
// #define XMIN -2.3
// #define XMAX 3.7 /* x interval */
// #define YMIN -1.6875
// #define YMAX 1.6875 /* y interval for 9/16 aspect ratio */
#define XMIN -2.0
#define XMAX 2.0 /* x interval */
#define YMIN -1.125
#define YMAX 1.125 /* y interval for 9/16 aspect ratio */
#define XMIN -3.3
#define XMAX 4.7 /* x interval */
#define YMIN -2.25
#define YMAX 2.25 /* y interval for 9/16 aspect ratio */
#define INITXMIN -1.95
#define INITXMAX 1.95 /* x interval for initial condition */
#define INITYMIN -1.1
#define INITYMAX 0.15 /* y interval for initial condition */
#define INITXMIN -2.5
#define INITXMAX 2.5 /* x interval for initial condition */
#define INITYMIN -1.7
#define INITYMAX 0.7 /* y interval for initial condition */
// #define BCXMIN -3.1
// #define BCXMAX 3.1 /* x interval for boundary condition */
// #define BCYMIN -4.5
// #define BCYMAX 4.5 /* y interval for boundary condition */
#define BCXMIN -5.1
#define BCXMAX 6.1 /* x interval for boundary condition */
#define BCYMIN -6.5
#define BCYMAX 44.0 /* y interval for boundary 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 OBSXMIN -2.0
#define OBSXMAX 2.0 /* x interval for motion of obstacle */
@@ -83,7 +73,7 @@
#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 102 /* pattern of repelling segments, see list in global_ljones.c */
#define SEGMENT_PATTERN 19 /* pattern of repelling segments, see list in global_ljones.c */
#define ROCKET_SHAPE 2 /* shape of rocket combustion chamber, see list in global_ljones.c */
#define ROCKET_SHAPE_B 2 /* shape of second rocket */
#define NOZZLE_SHAPE 1 /* shape of nozzle, see list in global_ljones.c */
@@ -103,18 +93,16 @@
#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 2.7 /* minimal distance in Poisson disc process, controls density of particles */
#define PDISC_DISTANCE 3.0 /* 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 0.8 /* parameter controlling the dimensions of domain */
// #define MU 0.02 /* parameter controlling radius of particles */
// #define MU 0.015 /* parameter controlling radius of particles */
#define LAMBDA 0.3 /* parameter controlling the dimensions of domain */
#define MU 0.009 /* parameter controlling radius of particles */
// #define MU 0.012 /* parameter controlling radius of particles */
#define MU_B 0.018 /* parameter controlling radius of particles of second type */
#define NPOLY 25 /* number of sides of polygon */
#define APOLY 0.666666666 /* angle by which to turn polygon, in units of Pi/2 */
// #define NPOLY 4 /* number of sides of polygon */
#define NPOLY 3 /* number of sides of polygon */
#define APOLY 1.0 /* 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 */
@@ -134,13 +122,11 @@
/* Parameters for length and speed of simulation */
#define NSTEPS 3300 /* number of frames of movie */
// #define NSTEPS 2000 /* number of frames of movie */
#define NSTEPS 1500 /* number of frames of movie */
#define NVID 100 /* number of iterations between images displayed on screen */
#define NSEG 250 /* number of segments of boundary */
#define INITIAL_TIME 10 /* time after which to start saving frames */
// #define OBSTACLE_INITIAL_TIME 10 /* time after which to start moving obstacle */
#define OBSTACLE_INITIAL_TIME 200 /* time after which to start moving obstacle */
#define INITIAL_TIME 250 /* time after which to start saving frames */
#define OBSTACLE_INITIAL_TIME 350 /* 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 */
@@ -154,7 +140,7 @@
/* Boundary conditions, see list in global_ljones.c */
#define BOUNDARY_COND 20
#define BOUNDARY_COND 0
/* Plot type, see list in global_ljones.c */
@@ -164,6 +150,7 @@
#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 1 /* set to 1 to fill triangles between neighbours */
#define ALTITUDE_LINES 0 /* set to 1 to add horizontal lines to show altitude */
#define COLOR_SEG_GROUPS 1 /* set to 1 to collor segment groups differently */
/* Color schemes */
@@ -191,7 +178,7 @@
#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 2.0e2 /* energy of particle with hottest color */
#define PARTICLE_EMAX 3.0e2 /* energy of particle with hottest color */
#define HUE_TYPE0 70.0 /* hue of particles of type 0 */
#define HUE_TYPE1 280.0 /* hue of particles of type 1 */
#define HUE_TYPE2 .0 /* hue of particles of type 2 */
@@ -200,10 +187,11 @@
#define RANDOM_RADIUS 0 /* set to 1 for random circle radius */
#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 4.0 /* 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 5.0 /* damping coefficient of particles */
#define DAMPING 10.0 /* damping coefficient of particles */
#define INITIAL_DAMPING 35.0 /* damping coefficient of particles during initial phase */
#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 */
@@ -211,7 +199,7 @@
#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 THERMOSTAT 0 /* 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 */
@@ -219,7 +207,7 @@
#define KSPRING_BOUNDARY 1.0e7 /* confining harmonic potential outside simulation region */
#define KSPRING_OBSTACLE 1.0e11 /* harmonic potential of obstacles */
#define NBH_DIST_FACTOR 7.5 /* radius in which to count neighbours */
#define GRAVITY 15.0 /* gravity acting on all particles */
#define GRAVITY 1500.0 /* gravity acting on all particles */
#define GRAVITY_X 0.0 /* horizontal gravity acting on all particles */
#define INCREASE_GRAVITY 0 /* set to 1 to increase gravity during the simulation */
#define GRAVITY_SCHEDULE 2 /* type of gravity schedule, see list in global_ljones.c */
@@ -240,7 +228,7 @@
#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 INCREASE_BETA 0 /* set to 1 to increase BETA during simulation */
#define BETA_FACTOR 0.025 /* 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 */
@@ -301,29 +289,29 @@
#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 1 /* set to 1 to print velocity of moving segments */
#define PRINT_SEGMENTS_SPEEDS 0 /* set to 1 to print velocity of moving segments */
#define MOVE_BOUNDARY 0 /* set to 1 to move repelling segments, due to force from particles */
#define SEGMENTS_MASS 40.0 /* mass of collection of segments */
#define DEACTIVATE_SEGMENT 1 /* set to 1 to deactivate last segment after a certain time */
#define SEGMENT_DEACTIVATION_TIME 200 /* time at which to deactivate last segment */
#define RELEASE_ROCKET_AT_DEACTIVATION 1 /* set to 1 to limit segments velocity before segment release */
#define SEGMENTS_X0 1.5 /* initial position of segments */
#define SEGMENTS_Y0 0.0 /* initial position of segments */
#define SEGMENTS_X0 1.0 /* initial position of segments */
#define SEGMENTS_Y0 0.8 /* 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 MOVE_SEGMENT_GROUPS 1 /* set to 1 to group segments into moving units */
#define SEGMENT_GROUP_MASS 1000.0 /* mass of segment group */
#define SEGMENT_GROUP_I 1000.0 /* moment of inertia of segment group */
#define SEGMENT_GROUP_MASS 750.0 /* mass of segment group */
#define SEGMENT_GROUP_I 500.0 /* moment of inertia of segment group */
#define SEGMENT_GROUP_DAMPING 0.0 /* damping of segment groups */
#define GROUP_REPULSION 1 /* set to 1 for groups of segments to repel each other */
#define KSPRING_GROUPS 1.0e11 /* harmonic potential between segment groups */
#define GROUP_WIDTH 0.05 /* interaction width of groups */
#define GROUP_G_REPEL 1 /* set to 1 to add repulsion between centers of mass of groups */
#define GROUP_G_REPEL 0 /* set to 1 to add repulsion between centers of mass of groups */
#define GROUP_G_REPEL_RADIUS 1.2 /* radius within which centers of mass of groups repel each other */
#define TRACK_SEGMENT_GROUPS 1 /* set to 1 for view to track group of segments */
#define TRACK_SEGMENT_GROUPS 0 /* set to 1 for view to track group of segments */
#define TRACK_X_PADDING 2.0 /* distance from x boundary where tracking starts */
#define POSITION_DEPENDENT_TYPE 0 /* set to 1 to make particle type depend on initial position */
@@ -336,8 +324,8 @@
#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 PLOT_SPEEDS 1 /* set to 1 to add a plot of obstacle speeds (e.g. for rockets) */
#define PLOT_TRAJECTORIES 1 /* set to 1 to add a plot of obstacle trajectories (e.g. for rockets) */
#define PLOT_SPEEDS 0 /* set to 1 to add a plot of obstacle speeds (e.g. for rockets) */
#define PLOT_TRAJECTORIES 0 /* set to 1 to add a plot of obstacle trajectories (e.g. for rockets) */
#define VMAX_PLOT_SPEEDS 0.6 /* vertical scale of plot of obstacle speeds */
#define EHRENFEST_COPY 0 /* set to 1 to add equal number of larger particles (for Ehrenfest model) */
@@ -362,7 +350,7 @@
#define PMAX 1000.0 /* maximal force */
#define HASHX 120 /* size of hashgrid in x direction */
#define HASHY 450 /* size of hashgrid in y direction */
#define HASHY 60 /* size of hashgrid in y direction */
#define HASHMAX 100 /* maximal number of particles per hashgrid cell */
#define HASHGRID_PADDING 0.1 /* padding of hashgrid outside simulation window */
@@ -636,12 +624,15 @@ int thermostat_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)
double beta, int *nactive, int *nsuccess, int *nmove, int initial_phase)
{
double a, totalenergy = 0.0;
double a, totalenergy = 0.0, damping;
static double b = 0.25*SIGMA*SIGMA*DT_PARTICLE/MU_XI, xi = 0.0;
int j, move;
if (initial_phase) damping = INITIAL_DAMPING;
else damping = DAMPING;
#pragma omp parallel for private(j,xi,totalenergy,a,move)
for (j=0; j<ncircles; j++) if (particle[j].active)
{
@@ -696,10 +687,11 @@ double evolve_particles(t_particle particle[NMAXCIRCLES], t_hashgrid hashgrid[HA
}
else
{
px[j] *= exp(- DT_PARTICLE*DAMPING);
py[j] *= exp(- DT_PARTICLE*DAMPING);
px[j] *= exp(- DT_PARTICLE*damping);
py[j] *= exp(- DT_PARTICLE*damping);
pangle[j] *= exp(- DT_PARTICLE*damping);
}
if ((COUPLE_ANGLE_TO_THERMOSTAT)&&(particle[j].thermostat))
if ((THERMOSTAT_ON)&&(COUPLE_ANGLE_TO_THERMOSTAT)&&(particle[j].thermostat))
pangle[j] *= exp(- 0.5*DT_PARTICLE*xi);
particle[j].xc = qx[j] + 0.5*DT_PARTICLE*px[j]*particle[j].mass_inv;
@@ -888,6 +880,7 @@ void evolve_segment_groups(t_segment segment[NMAXSEGMENTS], int time, t_group_se
maxdepth = 0.5*GROUP_WIDTH;
saturation_depth = 0.1*GROUP_WIDTH;
padding = 0.1;
for (group=0; group<ngroups; group++)
{
@@ -1206,7 +1199,7 @@ void animation()
}
/* timestep of thermostat algorithm */
totalenergy = evolve_particles(particle, hashgrid, qx, qy, qangle, px, py, pangle, beta, &nactive, &nsuccess, &nmove);
totalenergy = evolve_particles(particle, hashgrid, qx, qy, qangle, px, py, pangle, beta, &nactive, &nsuccess, &nmove, i < INITIAL_TIME);
/* evolution of lid coordinate */
if (BOUNDARY_COND == BC_RECTANGLE_LID) evolve_lid(fboundary);