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global_ljones.c

@@ -36,15 +36,21 @@
 
 #define I_COULOMB 0         /* Coulomb force */
 #define I_LENNARD_JONES 1   /* Lennard-Jones force */
-#define I_LJ_DIRECTIONAL 2  /* Lennard-Jones with direction dependence */
+#define I_LJ_DIRECTIONAL 2  /* Lennard-Jones with direction dependence of square symmetry */
 #define I_LJ_PENTA 3        /* Lennard-Jones with pentagonal symmetry */
 #define I_GOLDENRATIO 4     /* Lennard-Jones type with equilibria related by golden ratio */
+#define I_LJ_DIPOLE 5       /* Lennard-Jones with a dipolar angle dependence */
+#define I_LJ_QUADRUPOLE 6   /* Lennard-Jones with a quadropolar angle dependence */
 
 /* Boundary conditions */
 
 #define BC_SCREEN 0         /* harmonic boundary conditions outside screen area */
 #define BC_RECTANGLE 1      /* harmonic boundary conditions on a resizeable rectangle */
 #define BC_CIRCLE 2         /* harmonic boundary conditions outside a moving circle */
+#define BC_PERIODIC 3       /* periodic boundary conditions */
+#define BC_PERIODIC_CIRCLE 4  /* periodic boundary conditions and harmonic b.c. outside moving circle */
+#define BC_EHRENFEST 5      /* Ehrenfest urn-type configuration */
+#define BC_KLEIN 11         /* Klein bottle (periodic with twisted vertical parts) */
 
 /* Plot types */
 
@@ -52,7 +58,9 @@
 #define P_NEIGHBOURS 1    /* colors represent number of neighbours */
 #define P_HEALTH 2        /* colors represent health (for SIR model) */
 #define P_BONDS 3         /* draw lattice based on neighbours */
-
+#define P_ANGLE 4         /* colors represent angle/spin of particle */
+#define P_TYPE 5          /* colors represent type of particle */
+#define P_DIRECTION 6     /* colors represent direction of velocity */
 
 /* Color schemes */
 
@@ -60,11 +68,13 @@
 #define C_HUE 1          /* color scheme modifies hue */
 #define C_PHASE 2        /* color scheme shows phase */
 #define C_ONEDIM 3       /* use preset 1d color scheme (for Turbo, Viridis, Magma, Inferno, Plasma) */
+#define C_ONEDIM_LINEAR 4   /* use preset 1d color scheme with linear scale */
 
 /* Color palettes */
 
 #define COL_JET 0       /* JET color palette */
 #define COL_HSLUV 1     /* HSLUV color palette (perceptually uniform) */
+#define COL_GRAY 2      /* grayscale */
 
 #define COL_TURBO 10     /* TURBO color palette (by Anton Mikhailov) */
 #define COL_VIRIDIS 11   /* Viridis color palette */
@@ -73,23 +83,37 @@
 #define COL_PLASMA 14    /* Plasma color palette */
 #define COL_CIVIDIS 15   /* Cividis color palette */
 #define COL_PARULA 16    /* Parula color palette */
+#define COL_TWILIGHT 17  /* Twilight color palette */
+#define COL_TWILIGHT_SHIFTED 18  /* Shifted twilight color palette */
+
+#define COL_TURBO_CYCLIC 101    /* TURBO color palette (by Anton Mikhailov) corrected to be cyclic, beta */
 
 
 typedef struct
 {
     double xc, yc, radius;      /* center and radius of circle */
+    double angle;               /* angle of particle's "spin" */
     short int active;           /* circle is active */
     double energy;              /* dissipated energy */
     double vx;                  /* x velocity of particle */
     double vy;                  /* y velocity of particle */
+    double omega;               /* angular velocity of particle */
     double mass_inv;            /* inverse of particle mass */
+    double inertia_moment_inv;  /* inverse of moment of inertia */
     double fx;                  /* x component of force on particle */
     double fy;                  /* y component of force on particle */
+    double torque;              /* torque on particle */
+    short int thermostat;       /* whether particle is coupled to thermostat */
     int hashx;                  /* hash grid positions of particles */
     int hashy;                  /* hash grid positions of particles */
     int neighb;                 /* number of neighbours */
     int neighbours[MAXNEIGH];   /* coordinates of neighbours */
     double nghangle[MAXNEIGH];  /* angles of neighbours */
+    short int type;             /* type of particle, for mixture simulations */
+    short int interaction;      /* type of interaction */
+    double eq_dist;             /* equilibrium distance */
+    double spin_range;          /* range of spin-spin interaction */
+    double spin_freq;           /* angular frequency of spin-spin interaction */
 } t_particle;
 
 typedef struct