207 lines
10 KiB
C
207 lines
10 KiB
C
/* Global variables and parameters for lennardjones */
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/* Basic math */
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#define PI 3.141592654
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#define DPI 6.283185307
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#define PID 1.570796327
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/* shape of domain */
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#define D_CIRCLES 20 /* several circles */
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#define D_CIRCLES_IN_RECT 201 /* several circles in a rectangle */
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#define NMAXCIRCLES 20000 /* total number of circles/polygons (must be at least NCX*NCY for square grid) */
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#define MAXNEIGH 20 /* max number of neighbours kept in memory */
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#define NMAXOBSTACLES 100 /* max number of obstacles */
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#define NMAXSEGMENTS 100 /* max number of repelling segments */
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#define C_SQUARE 0 /* square grid of circles */
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#define C_HEX 1 /* hexagonal/triangular grid of circles */
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#define C_RAND_DISPLACED 2 /* randomly displaced square grid */
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#define C_RAND_PERCOL 3 /* random percolation arrangement */
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#define C_RAND_POISSON 4 /* random Poisson point process */
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#define C_CLOAK 5 /* invisibility cloak */
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#define C_CLOAK_A 6 /* first optimized invisibility cloak */
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#define C_LASER 7 /* laser fight in a room of mirrors */
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#define C_POISSON_DISC 8 /* Poisson disc sampling */
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#define C_GOLDEN_MEAN 10 /* pattern based on vertical shifts by golden mean */
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#define C_GOLDEN_SPIRAL 11 /* spiral pattern based on golden mean */
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#define C_SQUARE_HEX 12 /* alternating between square and hexagonal/triangular */
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#define C_ONE 97 /* one single circle, as for Sinai */
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#define C_TWO 98 /* two concentric circles of different type */
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#define C_NOTHING 99 /* no circle at all, for comparisons */
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/* pattern of additional obstacles */
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#define O_CORNERS 0 /* obstacles in the corners (for Boy b.c.) */
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#define O_GALTON_BOARD 1 /* Galton board pattern */
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#define O_GENUS_TWO 2 /* obstacles in corners of L-shape domeain (for genus 2 b.c.) */
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/* pattern of additional repelling segments */
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#define S_RECTANGLE 0 /* segments forming a rectangle */
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#define S_CUP 1 /* segments forming a cup (for increasing gravity) */
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#define S_HOURGLASS 2 /* segments forming an hour glass */
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#define S_PENTA 3 /* segments forming a pentagon with 3 angles of 120° and 2 right angles */
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#define S_CENTRIFUGE 4 /* segments forming "centrifuge" (polygon with radial segments) */
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#define S_POLY_ELLIPSE 5 /* segments forming a polygonal approximation of an ellipse */
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/* particle interaction */
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#define I_COULOMB 0 /* Coulomb force */
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#define I_LENNARD_JONES 1 /* Lennard-Jones force */
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#define I_LJ_DIRECTIONAL 2 /* Lennard-Jones with direction dependence of square symmetry */
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#define I_LJ_PENTA 3 /* Lennard-Jones with pentagonal symmetry */
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#define I_GOLDENRATIO 4 /* Lennard-Jones type with equilibria related by golden ratio */
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#define I_LJ_DIPOLE 5 /* Lennard-Jones with a dipolar angle dependence */
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#define I_LJ_QUADRUPOLE 6 /* Lennard-Jones with a quadropolar angle dependence */
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#define I_LJ_WATER 7 /* model for water molecule */
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/* Boundary conditions */
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#define BC_SCREEN 0 /* harmonic boundary conditions outside screen area */
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#define BC_RECTANGLE 1 /* harmonic boundary conditions on a resizeable rectangle */
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#define BC_CIRCLE 2 /* harmonic boundary conditions outside a moving circle */
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#define BC_PERIODIC 3 /* periodic boundary conditions */
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#define BC_PERIODIC_CIRCLE 4 /* periodic boundary conditions and harmonic b.c. outside moving circle */
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#define BC_EHRENFEST 5 /* Ehrenfest urn-type configuration */
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#define BC_PERIODIC_FUNNEL 6 /* funnel with periodic boundary conditions */
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#define BC_RECTANGLE_LID 7 /* rectangular container with moving lid */
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#define BC_PERIODIC_TRIANGLE 8 /* periodic boundary conditions and harmonic b.c. outside moving triangle */
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#define BC_RECTANGLE_WALL 9 /* rectangular container with vertical movable wall */
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#define BC_KLEIN 11 /* Klein bottle (periodic with twisted vertical parts) */
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#define BC_SCREEN_BINS 12 /* harmonic boundary conditions outside screen area plus "bins" (for Galton board) */
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#define BC_BOY 13 /* Boy surface/projective plane (periodic with twisted horizontal and vertical parts) */
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#define BC_GENUS_TWO 14 /* surface of genus 2, obtained by identifying opposite sides of an L shape */
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/* Regions for partial thermostat couplings */
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#define TH_VERTICAL 0 /* only particles at the right of x = PARTIAL_THERMO_SHIFT are coupled */
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#define TH_INSEGMENT 1 /* only particles in region defined by segments are coupled */
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/* Plot types */
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#define P_KINETIC 0 /* colors represent kinetic energy of particles */
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#define P_NEIGHBOURS 1 /* colors represent number of neighbours */
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#define P_HEALTH 2 /* colors represent health (for SIR model) */
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#define P_BONDS 3 /* draw lattice based on neighbours */
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#define P_ANGLE 4 /* colors represent angle/spin of particle */
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#define P_TYPE 5 /* colors represent type of particle */
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#define P_DIRECTION 6 /* colors represent direction of velocity */
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#define P_ANGULAR_SPEED 7 /* colors represent angular speed */
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#define P_DIRECT_ENERGY 8 /* hues represent direction, luminosity represents energy */
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#define P_DIFF_NEIGHB 9 /* colors represent number of neighbours of different type */
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/* Color schemes */
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#define C_LUM 0 /* color scheme modifies luminosity (with slow drift of hue) */
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#define C_HUE 1 /* color scheme modifies hue */
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#define C_PHASE 2 /* color scheme shows phase */
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#define C_ONEDIM 3 /* use preset 1d color scheme (for Turbo, Viridis, Magma, Inferno, Plasma, Twilight) */
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#define C_ONEDIM_LINEAR 4 /* use preset 1d color scheme with linear scale */
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/* Color palettes */
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#define COL_JET 0 /* JET color palette */
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#define COL_HSLUV 1 /* HSLUV color palette (perceptually uniform) */
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#define COL_GRAY 2 /* grayscale */
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#define COL_TURBO 10 /* TURBO color palette (by Anton Mikhailov) */
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#define COL_VIRIDIS 11 /* Viridis color palette */
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#define COL_MAGMA 12 /* Magma color palette */
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#define COL_INFERNO 13 /* Inferno color palette */
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#define COL_PLASMA 14 /* Plasma color palette */
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#define COL_CIVIDIS 15 /* Cividis color palette */
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#define COL_PARULA 16 /* Parula color palette */
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#define COL_TWILIGHT 17 /* Twilight color palette */
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#define COL_TWILIGHT_SHIFTED 18 /* Shifted twilight color palette */
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#define COL_TURBO_CYCLIC 101 /* TURBO color palette (by Anton Mikhailov) corrected to be cyclic, beta */
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typedef struct
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{
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double xc, yc, radius; /* center and radius of circle */
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double angle; /* angle of particle's "spin" */
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short int active; /* circle is active */
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double energy; /* dissipated energy */
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double vx; /* x velocity of particle */
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double vy; /* y velocity of particle */
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double omega; /* angular velocity of particle */
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double mass_inv; /* inverse of particle mass */
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double inertia_moment_inv; /* inverse of moment of inertia */
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double fx; /* x component of force on particle */
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double fy; /* y component of force on particle */
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double torque; /* torque on particle */
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short int thermostat; /* whether particle is coupled to thermostat */
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int hashcell; /* hash cell in which particle is located */
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int neighb; /* number of neighbours within given distance */
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int diff_neighb; /* number of neighbours of different type */
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int hash_nneighb; /* number of neighbours in hashgrid */
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int hashneighbour[9*HASHMAX]; /* particle numbers of neighbours in hashgrid */
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double deltax[9*HASHMAX]; /* relative position of neighbours */
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double deltay[9*HASHMAX]; /* relative position of neighbours */
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short int type; /* type of particle, for mixture simulations */
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short int interaction; /* type of interaction */
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double eq_dist; /* equilibrium distance */
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double spin_range; /* range of spin-spin interaction */
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double spin_freq; /* angular frequency of spin-spin interaction */
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} t_particle;
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typedef struct
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{
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int number; /* total number of particles in cell */
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int particles[HASHMAX]; /* numbers of particles in cell */
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int nneighb; /* number of neighbouring cells */
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int neighbour[9]; /* numbers of neighbouring cells */
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} t_hashgrid;
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typedef struct
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{
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double xc, yc, radius; /* center and radius of circle */
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short int active; /* circle is active */
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double energy; /* dissipated energy */
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double vx; /* x velocity of particle */
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double vy; /* y velocity of particle */
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double mass_inv; /* inverse of particle mass */
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double fx; /* x component of force on particle */
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double fy; /* y component of force on particle */
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int hashx; /* hash grid positions of particles */
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int hashy; /* hash grid positions of particles */
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int neighb; /* number of neighbours */
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int health; /* 0 = healthy, 1 = infected, 2 = recovered */
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double infected_time; /* time since infected */
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int protected; /* 0 = not protected, 1 = protected */
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} t_person;
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typedef struct
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{
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double xc, yc, radius; /* center and radius of circle */
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short int active; /* circle is active */
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} t_obstacle;
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typedef struct
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{
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double x1, x2, y1, y2; /* extremities of segment */
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double nx, ny; /* normal vector */
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double c; /* constant term in cartesian eq nx*x + ny*y = c */
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double length; /* length of segment */
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short int concave; /* corner is concave, to add extra repelling force */
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double angle1, angle2; /* angles in which concave corners repel */
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short int active; /* segment is active */
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double x01, x02, y01, y02; /* initial values of extremities, in case of rotation/translation */
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double nx0, ny0; /* initial normal vector */
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double angle01, angle02; /* initial values of angles in which concave corners repel */
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double fx, fy; /* x and y-components of force on segment */
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} t_segment;
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typedef struct
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{
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double xc, yc; /* center of circle */
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} t_tracer;
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int ncircles, nobstacles, nsegments, counter = 0;
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