#include #include #include #include int N = 20, refresh = 0; double dt = 0.01, xmin = -40, xmax = 40, ymin = -40, ymax = 40, v0 = 0.1; #define mini(a,b) (((a)<(b))?(a):(b)) typedef struct Particle Particle; struct Particle { double x, y; double vx, vy; double ax, ay; double prevx, prevy; Image* col; }; int colors[] = { DBlack, DRed, DGreen, DBlue, DCyan, DMagenta, DDarkyellow, DDarkgreen, DPalegreen, DMedgreen, DDarkblue, DPalebluegreen, DPaleblue, DBluegreen, DGreygreen, DPalegreygreen, DYellowgreen, DMedblue, DGreyblue, DPalegreyblue, DPurpleblue }; Particle *A, *B; Particle *prev, *cur; void reset(void) { int j, grid = sqrt(N)+0.5; Particle *p; draw(screen, screen->r, display->white, 0, ZP); for(j=0;jx = 2*(j%grid)+frand()/2; p->y = 2*(j/grid)+frand()/2; p->vx = 1.*v0*frand(); p->vy = 1.*v0*frand(); p->prevx = p->x - p->vx * dt; p->prevy = p->y - p->vy * dt; p->col = allocimage(display, Rect(0,0,1,1), screen->chan, 1, colors[rand()%(sizeof(colors)/sizeof(int))]); if(!p->col) sysfatal("allocimage"); } } void usage(void) { print("USAGE: mole options\n"); print(" -N number of particles [20]\n"); print(" -x left boundary [-40]\n"); print(" -X right boundary [40]\n"); print(" -y top boundary [-40]\n"); print(" -Y bottom boundary [40]\n"); print(" -t time step [0.01]\n"); print(" -v maximum start velocity [0.1]\n"); print(" -F clear every frames (0:off) [0]\n"); exits("usage"); } void main(int argc, char** argv) { int i, j; Particle *p, *q; double dx, dx1, dx2, dy, dy1, dy2, R, F; char* f; #define FARG(c, v) case c: if(!(f=ARGF())) usage(); v = atof(f); break; ARGBEGIN { case 'N': if(!(f=ARGF())) usage(); N = atoi(f); break; case 'F': if(!(f=ARGF())) usage(); refresh = atoi(f); break; FARG('v', v0); FARG('x', xmin); FARG('X', xmax); FARG('y', ymin); FARG('Y', ymax); FARG('t', dt); default: usage(); } ARGEND; A = calloc(sizeof(Particle), N); B = calloc(sizeof(Particle), N); prev = A; cur = B; srand(time(0)); initdraw(0, 0, "Molecular Dynamics"); einit(Emouse | Ekeyboard); reset(); i=0; while(1) { if(refresh && ((++i)%refresh)==0) draw(screen, screen->r, display->white, 0, ZP); memset(cur, 0, sizeof(Particle) * N); for(p=prev;px - q->x); dx2 = xmax - xmin - dx1; dx = mini(dx1, dx2); dy1 = fabs(p->y - q->y); dy2 = ymax - ymin - dy1; dy = mini(dy1, dy2); R = dx*dx + dy*dy; if(R >= 9) continue; R = 1/sqrt(R); double R2, R4, R6, R12; R2 = R * R; R4 = R2 * R2; R6 = R4 * R2; R12 = R6 * R6; F = 24*(2*R12 - R6); if(p->x < q->x) dx = -dx; if(p->y < q->y) dy = -dy; if(dx1 > dx2) dx = -dx; if(dy1 > dy2) dy = -dy; dx *= F; dy *= F; (p-prev+cur)->ax += dx; (p-prev+cur)->ay += dy; (q-prev+cur)->ax -= dx; (q-prev+cur)->ay -= dy; } } for(j=0;jx = 2*p->x - p->prevx + q->ax * dt*dt; q->y = 2*p->y - p->prevy + q->ay * dt*dt; q->vx = (q->x - p->prevx) / (2*dt); q->vy = (q->y - p->prevy) / (2*dt); q->prevx = p->x; q->prevy = p->y; if(q->x > xmax) {q->x -= xmax - xmin; q->prevx -= xmax - xmin;} if(q->x < xmin) {q->x += xmax - xmin; q->prevx += xmax - xmin;} if(q->y > ymax) {q->y -= ymax - ymin; q->prevy -= ymax - ymin;} if(q->y < ymin) {q->y += ymax - ymin; q->prevy += ymax - ymin;} q->col = p->col; x = (screen->r.max.x - screen->r.min.x) * (q->x - xmin) / (xmax - xmin) + screen->r.min.x; y = (screen->r.max.y - screen->r.min.y) * (q->y - ymin) / (ymax - ymin) + screen->r.min.y; draw(screen, Rect(x, y, x+1, y+1), p->col, 0, ZP); } Particle* tmp = prev; prev = cur; cur = tmp; flushimage(display, 1); if(ecankbd()) { switch(ekbd()) { case 'q': exits(0); break; case 'r': reset(); break; case 'f': draw(screen, screen->r, display->white, 0, ZP); break; } } } } void eresized(int new) { if(new) getwindow(display, Refnone); }