daviddoji/YouTube-simulations
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

Add files via upload

Browse Source
This commit is contained in:
Nils Berglund
2024-03-09 18:17:55 +01:00
committed by GitHub
parent 9ff0b44339
commit d5be739977
20 changed files with 5382 additions and 1060 deletions
Download Patch File Download Diff File Expand all files Collapse all files

50
global_ljones.c
View File

@@ -17,7 +17,7 @@
#define NMAXSEGMENTS 1000 /* max number of repelling segments */
#define NMAXGROUPS 50 /* max number of groups of segments */
#define NMAXCOLLISIONS 200000 /* max number of collisions */
#define NMAXPARTNERS 10 /* max number of partners in molecule */
#define NMAXPARTNERS 30 /* max number of partners in molecule */
#define C_SQUARE 0 /* square grid of circles */
#define C_HEX 1 /* hexagonal/triangular grid of circles */
@@ -75,6 +75,7 @@
#define S_HLINE_HOLE_SPOKES 181 /* horizontal line with a hole in the bottom and extra spokes */
#define S_EXT_CIRCLE_RECT 19 /* particles outside a circle and a rectangle */
#define S_BIN_OPENING 20 /* bin containing particles opening at deactivation time */
#define S_BIN_LARGE 201 /* larger bin */
#define S_POLYGON_EXT 21 /* exterior of a regular polygon */
#define S_WEDGE_EXT 22 /* exterior of a wedge */
#define S_MIXER 23 /* exterior of a blender made of rectangles */
@@ -83,6 +84,7 @@
#define S_COANDA_SHORT 26 /* shorter wall for Coanda effect */
#define S_CYLINDER 27 /* walls at top and bottom, for cylindrical b.c. */
#define S_TREE 28 /* Christmas tree(s) */
#define S_CONE 29 /* cone */
/* particle interaction */
@@ -127,11 +129,26 @@
#define TH_INBOX 2 /* only particles in a given box are coupled */
#define TH_LAYER 3 /* only particles above PARTIAL_THERMO_HEIGHT are coupled */
#define TH_LAYER_TYPE2 4 /* only particles above highest type 2 particle are coupled */
#define TH_RING 5 /* only particles outside disc of radius PARTIAL_THERMO_WIDTH are coupled */
#define TH_RING_EXPAND 6 /* only particles outside disc of radius changing from PARTIAL_THERMO_RIN to PARTIAL_THERMO_RFIN are coupled */
#define TH_INIT 7 /* only particles in region defined by INITXMIN, etc are coupled */
#define TH_THERMO 8 /* only particles in region defined by THERMOXMIN, etc are coupled */
#define TH_CONE 9 /* cone defined by S_CONE */
/* temperature schedules */
#define TS_EXPONENTIAL 0 /* temperature follows an exponential in time */
#define TS_CYCLING 1 /* temperature cycling */
#define TS_PERIODIC 2 /* periodic time dependence */
#define TS_LINEAR 3 /* linear time dependence */
#define TS_COSINE 4 /* periodic time dependence, cosine */
#define TS_EXPCOS 5 /* periodic time dependence, exponential of cosine */
#define TS_ASYM_EXPCOS 6 /* periodic time dependence, asymmetric exponential of cosine */
/* Gravity schedules */
#define G_INCREASE_RELEASE 1 /* slow increase and instant release */
#define G_INCREASE_DECREASE 2 /* slow increase an decrease */
#define G_INCREASE_DECREASE 2 /* slow increase and decrease */
/* Rocket shapes */
@@ -170,9 +187,14 @@
#define CHEM_BZ 14 /* simplified Belousov-Zhabotinski reaction with 6 types (Oregonator) */
#define CHEM_BRUSSELATOR 15 /* Brusselator oscillating reaction */
#define CHEM_ABDACBE 16 /* A + B -> D, A + C -> B + E */
#define CHEM_H2O_H_OH 20 /* H2O <-> H+ + OH- */
#define CHEM_2H2O_H3O_OH 21 /* 2 H2O <-> H3O+ + OH- */
#define CHEM_AGGREGATION 22 /* agregation of molecules coming close */
#define CHEM_AGGREGATION_CHARGE 23 /* agregation of charged molecules coming close */
/* Initial conditions for chemical reactions */
#define IC_NOTHING 99 /* do not change particle types */
#define IC_UNIFORM 0 /* all particles have type 1 */
#define IC_UNIFORM2 20 /* all particles have type 2 */
#define IC_RANDOM_UNIF 1 /* particle type chosen uniformly at random */
@@ -212,8 +234,13 @@
#define P_INITIAL_POS 11 /* colors depend on initial position of particle */
#define P_NUMBER 12 /* colors depend on particle number */
#define P_EMEAN 13 /* averaged kinetic energy (with exponential damping) */
#define P_LOG_EMEAN 131 /* log of averaged kinetic energy (with exponential damping) */
#define P_DIRECT_EMEAN 14 /* averaged version of P_DIRECT_ENERGY */
#define P_NOPARTICLE 15 /* particles are not drawn (only the links between them) */
#define P_NPARTNERS 16 /* number of partners */
#define P_CHARGE 17 /* colors represent charge */
#define P_MOL_ANGLE 18 /* orientation of molecule defined by partners */
#define P_CLUSTER 19 /* colors depend on connected component */
/* Rotation schedules */
@@ -230,6 +257,12 @@
#define POLY_STAR 0 /* star-shaped graph (central molecule attracts outer ones) */
#define POLY_ALL 1 /* all-to-all coupling */
#define POLY_WATER 2 /* star-shaped with a 120° separation between anions */
#define POLY_SOAP 3 /* polymers with all-to-all coupling and polar end */
#define POLY_SOAP_B 4 /* polymers with pairwise coupling and polar end */
#define POLY_PLUSMINUS 5 /* polymers with ends of opposite charge */
#define POLY_HYDRA 6 /* star-shaped with longer arms */
#define POLY_HYDRA_RIGID 61 /* star-shaped with longer arms and rigid first ring */
// #define POLY_GLUE 99 /* dummy value for option CHEM_AGGREGATION */
/* Background color schemes */
@@ -239,6 +272,11 @@
#define BG_EKIN 3 /* background color depends on kinetic energy */
#define BG_FORCE 4 /* background color depends on total force */
/* Particle add regions */
#define ADD_RECTANGLE 0 /* rectangular region, defined by ADDXMIN, etc */
#define ADD_RING 1 /* ring_shaped region, defined by ADDRMIN, ADDRMAX */
/* Color schemes */
#define C_LUM 0 /* color scheme modifies luminosity (with slow drift of hue) */
@@ -300,9 +338,12 @@ typedef struct
double spin_freq; /* angular frequency of spin-spin interaction */
double color_hue; /* color hue of particle, for P_INITIAL_POS plot type */
int color_rgb[3]; /* RGB colors code of particle, for use in ljones_movie.c */
int partner[NMAXPARTNERS]; /* partners particle for option PAIR_PARTICLES */
int partner[NMAXPARTNERS]; /* partner particles for option PAIR_PARTICLES */
short int npartners; /* number of partner particles */
double partner_eqd[NMAXPARTNERS]; /* equilibrium distances between partners */
int p0, p1; /* numbers of two first partners (for P_MOL_ANGLE color scheme) */
int cluster; /* number of cluster */
short int tested, cactive; /* for cluster search */
} t_particle;
typedef struct
@@ -410,7 +451,10 @@ typedef struct
double bdry_fx, bdry_fy; /* components of boundary force */
double efield, bfield; /* electric and magnetic field */
double prop; /* proportion of types */
double thermo_radius; /* radius of thermostat region */
} t_lj_parameters;
int ncircles, nobstacles, nsegments, ngroups = 1, counter = 0;