3222 lines
106 KiB
C
3222 lines
106 KiB
C
/*********************/
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/* Graphics routines */
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/*********************/
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#include "colors_waves.c"
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#define HUE_TYPE0 300.0 /* hue of particles of type 0 */
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#define HUE_TYPE1 90.0 /* hue of particles of type 1 */
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int writetiff(char *filename, char *description, int x, int y, int width, int height, int compression)
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{
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TIFF *file;
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GLubyte *image, *p;
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int i;
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file = TIFFOpen(filename, "w");
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if (file == NULL)
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{
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return 1;
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}
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image = (GLubyte *) malloc(width * height * sizeof(GLubyte) * 3);
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/* OpenGL's default 4 byte pack alignment would leave extra bytes at the
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end of each image row so that each full row contained a number of bytes
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divisible by 4. Ie, an RGB row with 3 pixels and 8-bit componets would
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be laid out like "RGBRGBRGBxxx" where the last three "xxx" bytes exist
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just to pad the row out to 12 bytes (12 is divisible by 4). To make sure
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the rows are packed as tight as possible (no row padding), set the pack
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alignment to 1. */
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glPixelStorei(GL_PACK_ALIGNMENT, 1);
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glReadPixels(x, y, width, height, GL_RGB, GL_UNSIGNED_BYTE, image);
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TIFFSetField(file, TIFFTAG_IMAGEWIDTH, (uint32) width);
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TIFFSetField(file, TIFFTAG_IMAGELENGTH, (uint32) height);
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TIFFSetField(file, TIFFTAG_BITSPERSAMPLE, 8);
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TIFFSetField(file, TIFFTAG_COMPRESSION, compression);
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TIFFSetField(file, TIFFTAG_PHOTOMETRIC, PHOTOMETRIC_RGB);
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TIFFSetField(file, TIFFTAG_ORIENTATION, ORIENTATION_BOTLEFT);
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TIFFSetField(file, TIFFTAG_SAMPLESPERPIXEL, 3);
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TIFFSetField(file, TIFFTAG_PLANARCONFIG, PLANARCONFIG_CONTIG);
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TIFFSetField(file, TIFFTAG_ROWSPERSTRIP, 1);
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TIFFSetField(file, TIFFTAG_IMAGEDESCRIPTION, description);
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p = image;
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for (i = height - 1; i >= 0; i--)
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{
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// if (TIFFWriteScanline(file, p, height - i - 1, 0) < 0)
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if (TIFFWriteScanline(file, p, i, 0) < 0)
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{
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free(image);
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TIFFClose(file);
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return 1;
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}
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p += width * sizeof(GLubyte) * 3;
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}
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TIFFClose(file);
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return 0;
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}
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void init() /* initialisation of window */
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{
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glLineWidth(3);
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glClearColor(0.0, 0.0, 0.0, 1.0);
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glClear(GL_COLOR_BUFFER_BIT);
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glOrtho(XMIN, XMAX, YMIN, YMAX , -1.0, 1.0);
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// glOrtho(0.0, NX, 0.0, NY, -1.0, 1.0);
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}
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void blank()
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{
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if (BLACK) glClearColor(0.0, 0.0, 0.0, 1.0);
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else glClearColor(1.0, 1.0, 1.0, 1.0);
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glClear(GL_COLOR_BUFFER_BIT);
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}
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void save_frame_lj()
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{
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static int counter = 0;
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char *name="lj.", n2[100];
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char format[6]=".%05i";
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counter++;
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// printf (" p2 counter = %d \n",counter);
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strcpy(n2, name);
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sprintf(strstr(n2,"."), format, counter);
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strcat(n2, ".tif");
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printf(" saving frame %s \n",n2);
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writetiff(n2, "Particles with Lennard-Jones interaction in a planar domain", 0, 0,
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WINWIDTH, WINHEIGHT, COMPRESSION_LZW);
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}
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void save_frame_lj_counter(int counter)
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{
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char *name="lj.", n2[100];
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char format[6]=".%05i";
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strcpy(n2, name);
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sprintf(strstr(n2,"."), format, counter);
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strcat(n2, ".tif");
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printf(" saving frame %s \n",n2);
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writetiff(n2, "Particles with Lennard-Jones interaction in a planar domain", 0, 0,
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WINWIDTH, WINHEIGHT, COMPRESSION_LZW);
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}
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void write_text_fixedwidth( double x, double y, char *st)
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{
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int l, i;
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l=strlen( st ); // see how many characters are in text string.
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glRasterPos2d( x, y); // location to start printing text
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for( i=0; i < l; i++) // loop until i is greater then l
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{
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// glutBitmapCharacter(GLUT_BITMAP_TIMES_ROMAN_24, st[i]); // Print a character on the screen
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// glutBitmapCharacter(GLUT_BITMAP_8_BY_13, st[i]); // Print a character on the screen
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glutBitmapCharacter(GLUT_BITMAP_9_BY_15, st[i]); // Print a character on the screen
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}
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}
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void write_text( double x, double y, char *st)
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{
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int l,i;
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l=strlen( st ); // see how many characters are in text string.
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glRasterPos2d( x, y); // location to start printing text
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for( i=0; i < l; i++) // loop until i is greater then l
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{
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glutBitmapCharacter(GLUT_BITMAP_TIMES_ROMAN_24, st[i]); // Print a character on the screen
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// glutBitmapCharacter(GLUT_BITMAP_8_BY_13, st[i]); // Print a character on the screen
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}
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}
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/*********************/
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/* some basic math */
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/*********************/
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double vabs(double x) /* absolute value */
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{
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double res;
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if (x<0.0) res = -x;
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else res = x;
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return(res);
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}
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double module2(double x, double y) /* Euclidean norm */
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{
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double m;
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m = sqrt(x*x + y*y);
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return(m);
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}
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double argument(double x, double y)
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{
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double alph;
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if (x!=0.0)
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{
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alph = atan(y/x);
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if (x<0.0)
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alph += PI;
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}
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else
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{
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alph = PID;
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if (y<0.0)
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alph = PI*1.5;
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}
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return(alph);
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}
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double ipow(double x, int n)
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{
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double y;
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int i;
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y = x;
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for (i=1; i<n; i++) y *= x;
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return(y);
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}
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double gaussian()
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/* returns standard normal random variable, using Box-Mueller algorithm */
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{
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static double V1, V2, S;
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static int phase = 0;
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double X;
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if (phase == 0)
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{
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do
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{
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double U1 = (double)rand() / RAND_MAX;
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double U2 = (double)rand() / RAND_MAX;
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V1 = 2 * U1 - 1;
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V2 = 2 * U2 - 1;
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S = V1 * V1 + V2 * V2;
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}
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while(S >= 1 || S == 0);
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X = V1 * sqrt(-2 * log(S) / S);
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}
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else X = V2 * sqrt(-2 * log(S) / S);
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phase = 1 - phase;
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return X;
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}
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/*********************/
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/* drawing routines */
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/*********************/
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void erase_area(double x, double y, double dx, double dy)
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{
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double pos[2], rgb[3];
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hsl_to_rgb(220.0, 0.8, 0.7, rgb);
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glColor3f(rgb[0], rgb[1], rgb[2]);
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glBegin(GL_QUADS);
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glVertex2d(x - dx, y - dy);
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glVertex2d(x + dx, y - dy);
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glVertex2d(x + dx, y + dy);
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glVertex2d(x - dx, y + dy);
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glEnd();
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}
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void erase_area_rgb(double x, double y, double dx, double dy, double rgb[3])
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{
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double pos[2];
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glColor3f(rgb[0], rgb[1], rgb[2]);
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glBegin(GL_QUADS);
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glVertex2d(x - dx, y - dy);
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glVertex2d(x + dx, y - dy);
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glVertex2d(x + dx, y + dy);
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glVertex2d(x - dx, y + dy);
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glEnd();
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}
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void erase_area_hsl(double x, double y, double dx, double dy, double h, double s, double l)
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{
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double pos[2], rgb[3];
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hsl_to_rgb(h, s, l, rgb);
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erase_area_rgb(x, y, dx, dy, rgb);
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}
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void erase_area_hsl_turbo(double x, double y, double dx, double dy, double h, double s, double l)
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{
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double pos[2], rgb[3];
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hsl_to_rgb_turbo(h, s, l, rgb);
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erase_area_rgb(x, y, dx, dy, rgb);
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}
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void draw_line(double x1, double y1, double x2, double y2)
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{
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glBegin(GL_LINE_STRIP);
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glVertex2d(x1, y1);
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glVertex2d(x2, y2);
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glEnd();
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}
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void draw_rectangle(double x1, double y1, double x2, double y2)
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{
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glBegin(GL_LINE_LOOP);
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glVertex2d(x1, y1);
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glVertex2d(x2, y1);
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glVertex2d(x2, y2);
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glVertex2d(x1, y2);
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glEnd();
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}
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void draw_colored_rectangle(double x1, double y1, double x2, double y2, double rgb[3])
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{
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glColor3f(rgb[0], rgb[1], rgb[2]);
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glBegin(GL_TRIANGLE_FAN);
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glVertex2d(x1, y1);
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glVertex2d(x2, y1);
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glVertex2d(x2, y2);
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glVertex2d(x1, y2);
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glEnd();
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}
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void draw_triangle(double x1, double y1, double x2, double y2, double x3, double y3)
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{
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glBegin(GL_LINE_LOOP);
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glVertex2d(x1, y1);
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glVertex2d(x2, y2);
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glVertex2d(x3, y3);
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glEnd();
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}
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void draw_colored_triangle(double x1, double y1, double x2, double y2, double x3, double y3, double rgb[3])
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{
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glColor3f(rgb[0], rgb[1], rgb[2]);
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glBegin(GL_TRIANGLE_FAN);
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glVertex2d(x1, y1);
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glVertex2d(x2, y2);
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glVertex2d(x3, y3);
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glEnd();
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}
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void draw_circle(double x, double y, double r, int nseg)
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{
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int i;
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double pos[2], alpha, dalpha;
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dalpha = DPI/(double)nseg;
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glBegin(GL_LINE_LOOP);
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for (i=0; i<=nseg; i++)
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{
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alpha = (double)i*dalpha;
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glVertex2d(x + r*cos(alpha), y + r*sin(alpha));
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}
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glEnd();
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}
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void draw_colored_circle(double x, double y, double r, int nseg, double rgb[3])
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{
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int i;
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double pos[2], alpha, dalpha;
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dalpha = DPI/(double)nseg;
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glColor3f(rgb[0], rgb[1], rgb[2]);
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glBegin(GL_TRIANGLE_FAN);
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glVertex2d(x, y);
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for (i=0; i<=nseg; i++)
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{
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alpha = (double)i*dalpha;
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glVertex2d(x + r*cos(alpha), y + r*sin(alpha));
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}
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glEnd();
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}
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void draw_polygon(double x, double y, double r, int nsides, double angle)
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{
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int i;
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double pos[2], alpha, dalpha;
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dalpha = DPI/(double)nsides;
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glBegin(GL_LINE_LOOP);
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for (i=0; i<=nsides; i++)
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{
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alpha = angle + (double)i*dalpha;
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glVertex2d(x + r*cos(alpha), y + r*sin(alpha));
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}
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glEnd();
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}
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void draw_colored_polygon(double x, double y, double r, int nsides, double angle, double rgb[3])
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{
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int i;
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double pos[2], alpha, dalpha;
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dalpha = DPI/(double)nsides;
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glColor3f(rgb[0], rgb[1], rgb[2]);
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glBegin(GL_TRIANGLE_FAN);
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glVertex2d(x, y);
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for (i=0; i<=nsides; i++)
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{
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alpha = angle + (double)i*dalpha;
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glVertex2d(x + r*cos(alpha), y + r*sin(alpha));
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}
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glEnd();
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}
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void draw_rhombus(double x, double y, double r, double angle)
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{
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int i;
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static int first = 1;
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static double ratio;
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if (first)
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{
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ratio = tan(0.1*PI);
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first = 0;
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}
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glBegin(GL_LINE_LOOP);
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glVertex2d(x + r*cos(angle), y + r*sin(angle));
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glVertex2d(x - ratio*r*sin(angle), y + ratio*r*cos(angle));
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glVertex2d(x - r*cos(angle), y - r*sin(angle));
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glVertex2d(x + ratio*r*sin(angle), y - ratio*r*cos(angle));
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glEnd();
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}
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void draw_colored_rhombus(double x, double y, double r, double angle, double rgb[3])
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{
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int i;
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static int first = 1;
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static double ratio;
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if (first)
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{
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ratio = tan(0.1*PI);
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first = 0;
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}
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glColor3f(rgb[0], rgb[1], rgb[2]);
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glBegin(GL_TRIANGLE_FAN);
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glVertex2d(x, y);
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glVertex2d(x + r*cos(angle), y + r*sin(angle));
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glVertex2d(x - ratio*r*sin(angle), y + ratio*r*cos(angle));
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glVertex2d(x - r*cos(angle), y - r*sin(angle));
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glVertex2d(x + ratio*r*sin(angle), y - ratio*r*cos(angle));
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glVertex2d(x + r*cos(angle), y + r*sin(angle));
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glEnd();
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}
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void draw_colored_sector(double xc, double yc, double r1, double r2, double angle1, double angle2, double rgb[3], int nsides)
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{
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int i;
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double angle, dangle;
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dangle = (angle2 - angle1)/(double)nsides;
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glColor3f(rgb[0], rgb[1], rgb[2]);
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glBegin(GL_TRIANGLE_FAN);
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glVertex2d(xc + r1*cos(angle1), yc + r1*sin(angle1));
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for (i = 0; i < nsides+1; i++)
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{
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angle = angle1 + dangle*(double)i;
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glVertex2d(xc + r2*cos(angle), yc + r2*sin(angle));
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}
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glEnd();
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glBegin(GL_TRIANGLE_FAN);
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glVertex2d(xc + r2*cos(angle2), yc + r2*sin(angle2));
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for (i = 0; i < nsides+1; i++)
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{
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angle = angle1 + dangle*(double)i;
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glVertex2d(xc + r1*cos(angle), yc + r1*sin(angle));
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}
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glEnd();
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}
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void init_particle_config(t_particle particles[NMAXCIRCLES])
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/* initialise particle configuration */
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{
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int i, j, k, n, ncirc0, n_p_active, ncandidates = PDISC_CANDIDATES, naccepted;
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double dx, dy, p, phi, r, r0, ra[5], sa[5], height, x, y = 0.0, gamma, dpoisson = PDISC_DISTANCE*MU, xx[4], yy[4];
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short int active_poisson[NMAXCIRCLES], far;
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switch (CIRCLE_PATTERN) {
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case (C_SQUARE):
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{
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ncircles = NGRIDX*NGRIDY;
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dy = (YMAX - YMIN)/((double)NGRIDY);
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for (i = 0; i < NGRIDX; i++)
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for (j = 0; j < NGRIDY; j++)
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{
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n = NGRIDY*i + j;
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particles[n].xc = ((double)(i-NGRIDX/2) + 0.5)*dy;
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particles[n].yc = YMIN + ((double)j + 0.5)*dy;
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particles[n].radius = MU;
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particles[n].active = 1;
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}
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break;
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}
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case (C_HEX):
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{
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ncircles = NGRIDX*(NGRIDY+1);
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dx = (INITXMAX - INITXMIN)/((double)NGRIDX);
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dy = (INITYMAX - INITYMIN)/((double)NGRIDY);
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// dx = dy*0.5*sqrt(3.0);
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for (i = 0; i < NGRIDX; i++)
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for (j = 0; j < NGRIDY+1; j++)
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{
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n = (NGRIDY+1)*i + j;
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particles[n].xc = ((double)(i-NGRIDX/2) + 0.5)*dx; /* is +0.5 needed? */
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particles[n].yc = INITYMIN + ((double)j - 0.5)*dy;
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if ((i+NGRIDX)%2 == 1) particles[n].yc += 0.5*dy;
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particles[n].radius = MU;
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/* activate only circles that intersect the domain */
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if ((particles[n].yc < INITYMAX + MU)&&(particles[n].yc > INITYMIN - MU)) particles[n].active = 1;
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else particles[n].active = 0;
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}
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break;
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}
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case (C_RAND_DISPLACED):
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{
|
|
ncircles = NGRIDX*NGRIDY;
|
|
dy = (YMAX - YMIN)/((double)NGRIDY);
|
|
for (i = 0; i < NGRIDX; i++)
|
|
for (j = 0; j < NGRIDY; j++)
|
|
{
|
|
n = NGRIDY*i + j;
|
|
particles[n].xc = ((double)(i-NGRIDX/2) + 0.5*((double)rand()/RAND_MAX - 0.5))*dy;
|
|
particles[n].yc = YMIN + ((double)j + 0.5 + 0.5*((double)rand()/RAND_MAX - 0.5))*dy;
|
|
particles[n].radius = MU;
|
|
// particles[n].radius = MU*sqrt(1.0 + 0.8*((double)rand()/RAND_MAX - 0.5));
|
|
particles[n].active = 1;
|
|
}
|
|
break;
|
|
}
|
|
case (C_RAND_PERCOL):
|
|
{
|
|
ncircles = NGRIDX*NGRIDY;
|
|
dy = (YMAX - YMIN)/((double)NGRIDY);
|
|
for (i = 0; i < NGRIDX; i++)
|
|
for (j = 0; j < NGRIDY; j++)
|
|
{
|
|
n = NGRIDY*i + j;
|
|
particles[n].xc = ((double)(i-NGRIDX/2) + 0.5)*dy;
|
|
particles[n].yc = YMIN + ((double)j + 0.5)*dy;
|
|
particles[n].radius = MU;
|
|
p = (double)rand()/RAND_MAX;
|
|
if (p < P_PERCOL) particles[n].active = 1;
|
|
else particles[n].active = 0;
|
|
}
|
|
break;
|
|
}
|
|
case (C_RAND_POISSON):
|
|
{
|
|
ncircles = NPOISSON;
|
|
for (n = 0; n < NPOISSON; n++)
|
|
{
|
|
// particles[n].xc = LAMBDA*(2.0*(double)rand()/RAND_MAX - 1.0);
|
|
particles[n].xc = (XMAX - XMIN)*(double)rand()/RAND_MAX + XMIN;
|
|
particles[n].yc = (YMAX - YMIN)*(double)rand()/RAND_MAX + YMIN;
|
|
particles[n].radius = MU;
|
|
particles[n].active = 1;
|
|
}
|
|
break;
|
|
}
|
|
case (C_CLOAK):
|
|
{
|
|
ncircles = 200;
|
|
for (i = 0; i < 40; i++)
|
|
for (j = 0; j < 5; j++)
|
|
{
|
|
n = 5*i + j;
|
|
phi = (double)i*DPI/40.0;
|
|
r = LAMBDA*0.5*(1.0 + (double)j/5.0);
|
|
particles[n].xc = r*cos(phi);
|
|
particles[n].yc = r*sin(phi);
|
|
particles[n].radius = MU;
|
|
particles[n].active = 1;
|
|
}
|
|
break;
|
|
}
|
|
case (C_CLOAK_A): /* optimized model A1 by C. Jo et al */
|
|
{
|
|
ncircles = 200;
|
|
ra[0] = 0.0731; sa[0] = 1.115;
|
|
ra[1] = 0.0768; sa[1] = 1.292;
|
|
ra[2] = 0.0652; sa[2] = 1.464;
|
|
ra[3] = 0.056; sa[3] = 1.633;
|
|
ra[4] = 0.0375; sa[4] = 1.794;
|
|
for (i = 0; i < 40; i++)
|
|
for (j = 0; j < 5; j++)
|
|
{
|
|
n = 5*i + j;
|
|
phi = (double)i*DPI/40.0;
|
|
r = LAMBDA*sa[j];
|
|
particles[n].xc = r*cos(phi);
|
|
particles[n].yc = r*sin(phi);
|
|
particles[n].radius = LAMBDA*ra[j];
|
|
particles[n].active = 1;
|
|
}
|
|
break;
|
|
}
|
|
case (C_LASER):
|
|
{
|
|
ncircles = 17;
|
|
|
|
xx[0] = 0.5*(X_SHOOTER + X_TARGET);
|
|
xx[1] = LAMBDA - 0.5*(X_TARGET - X_SHOOTER);
|
|
xx[2] = -xx[0];
|
|
xx[3] = -xx[1];
|
|
|
|
yy[0] = 0.5*(Y_SHOOTER + Y_TARGET);
|
|
yy[1] = 1.0 - 0.5*(Y_TARGET - Y_SHOOTER);
|
|
yy[2] = -yy[0];
|
|
yy[3] = -yy[1];
|
|
|
|
for (i = 0; i < 4; i++)
|
|
for (j = 0; j < 4; j++)
|
|
{
|
|
particles[4*i + j].xc = xx[i];
|
|
particles[4*i + j].yc = yy[j];
|
|
|
|
}
|
|
|
|
particles[ncircles - 1].xc = X_TARGET;
|
|
particles[ncircles - 1].yc = Y_TARGET;
|
|
|
|
for (i=0; i<ncircles - 1; i++)
|
|
{
|
|
particles[i].radius = MU;
|
|
particles[i].active = 1;
|
|
}
|
|
|
|
particles[ncircles - 1].radius = 0.5*MU;
|
|
particles[ncircles - 1].active = 2;
|
|
|
|
break;
|
|
}
|
|
case (C_POISSON_DISC):
|
|
{
|
|
printf("Generating Poisson disc sample\n");
|
|
/* generate first circle */
|
|
// particles[0].xc = LAMBDA*(2.0*(double)rand()/RAND_MAX - 1.0);
|
|
particles[0].xc = (INITXMAX - INITXMIN)*(double)rand()/RAND_MAX + INITXMIN;
|
|
particles[0].yc = (INITYMAX - INITYMIN)*(double)rand()/RAND_MAX + INITYMIN;
|
|
active_poisson[0] = 1;
|
|
// particles[0].active = 1;
|
|
n_p_active = 1;
|
|
ncircles = 1;
|
|
|
|
while ((n_p_active > 0)&&(ncircles < NMAXCIRCLES))
|
|
{
|
|
/* randomly select an active circle */
|
|
i = rand()%(ncircles);
|
|
while (!active_poisson[i]) i = rand()%(ncircles);
|
|
// printf("Starting from circle %i at (%.3f,%.3f)\n", i, particles[i].xc, particles[i].yc);
|
|
/* generate new candidates */
|
|
naccepted = 0;
|
|
for (j=0; j<ncandidates; j++)
|
|
{
|
|
r = dpoisson*(2.0*(double)rand()/RAND_MAX + 1.0);
|
|
phi = DPI*(double)rand()/RAND_MAX;
|
|
x = particles[i].xc + r*cos(phi);
|
|
y = particles[i].yc + r*sin(phi);
|
|
// printf("Testing new circle at (%.3f,%.3f)\t", x, y);
|
|
far = 1;
|
|
for (k=0; k<ncircles; k++) if ((k!=i))
|
|
{
|
|
/* new circle is far away from circle k */
|
|
far = far*((x - particles[k].xc)*(x - particles[k].xc) + (y - particles[k].yc)*(y - particles[k].yc) >= dpoisson*dpoisson);
|
|
/* new circle is in domain */
|
|
far = far*(x < INITXMAX)*(x > INITXMIN)*(y < INITYMAX)*(y > INITYMIN);
|
|
// far = far*(vabs(x) < LAMBDA)*(y < INITYMAX)*(y > INITYMIN);
|
|
}
|
|
if (far) /* accept new circle */
|
|
{
|
|
printf("New circle at (%.3f,%.3f) accepted\n", x, y);
|
|
particles[ncircles].xc = x;
|
|
particles[ncircles].yc = y;
|
|
particles[ncircles].radius = MU;
|
|
particles[ncircles].active = 1;
|
|
active_poisson[ncircles] = 1;
|
|
ncircles++;
|
|
n_p_active++;
|
|
naccepted++;
|
|
}
|
|
// else printf("Rejected\n");
|
|
}
|
|
if (naccepted == 0) /* inactivate circle i */
|
|
{
|
|
// printf("No candidates work, inactivate circle %i\n", i);
|
|
active_poisson[i] = 0;
|
|
n_p_active--;
|
|
}
|
|
printf("%i active circles\n", n_p_active);
|
|
}
|
|
|
|
printf("Generated %i circles\n", ncircles);
|
|
break;
|
|
}
|
|
case (C_GOLDEN_MEAN):
|
|
{
|
|
ncircles = 300;
|
|
gamma = (sqrt(5.0) - 1.0)*0.5; /* golden mean */
|
|
height = YMAX - YMIN;
|
|
dx = 2.0*LAMBDA/((double)ncircles);
|
|
for (n = 0; n < ncircles; n++)
|
|
{
|
|
particles[n].xc = -LAMBDA + n*dx;
|
|
particles[n].yc = y;
|
|
y += height*gamma;
|
|
if (y > YMAX) y -= height;
|
|
particles[n].radius = MU;
|
|
particles[n].active = 1;
|
|
}
|
|
|
|
/* test for circles that overlap top or bottom boundary */
|
|
ncirc0 = ncircles;
|
|
for (n=0; n < ncirc0; n++)
|
|
{
|
|
if (particles[n].yc + particles[n].radius > YMAX)
|
|
{
|
|
particles[ncircles].xc = particles[n].xc;
|
|
particles[ncircles].yc = particles[n].yc - height;
|
|
particles[ncircles].radius = MU;
|
|
particles[ncircles].active = 1;
|
|
ncircles ++;
|
|
}
|
|
else if (particles[n].yc - particles[n].radius < YMIN)
|
|
{
|
|
particles[ncircles].xc = particles[n].xc;
|
|
particles[ncircles].yc = particles[n].yc + height;
|
|
particles[ncircles].radius = MU;
|
|
particles[ncircles].active = 1;
|
|
ncircles ++;
|
|
}
|
|
}
|
|
break;
|
|
}
|
|
case (C_GOLDEN_SPIRAL):
|
|
{
|
|
ncircles = 1;
|
|
particles[0].xc = 0.0;
|
|
particles[0].yc = 0.0;
|
|
|
|
gamma = (sqrt(5.0) - 1.0)*PI; /* golden mean times 2Pi */
|
|
phi = 0.0;
|
|
r0 = 2.0*MU;
|
|
r = r0 + MU;
|
|
|
|
for (i=0; i<1000; i++)
|
|
{
|
|
x = r*cos(phi);
|
|
y = r*sin(phi);
|
|
|
|
phi += gamma;
|
|
r += MU*r0/r;
|
|
|
|
if ((vabs(x) < LAMBDA)&&(vabs(y) < YMAX + MU))
|
|
{
|
|
particles[ncircles].xc = x;
|
|
particles[ncircles].yc = y;
|
|
ncircles++;
|
|
}
|
|
}
|
|
|
|
for (i=0; i<ncircles; i++)
|
|
{
|
|
particles[i].radius = MU;
|
|
/* inactivate circles outside the domain */
|
|
if ((particles[i].yc < YMAX + MU)&&(particles[i].yc > YMIN - MU)) particles[i].active = 1;
|
|
// printf("i = %i, circlex = %.3lg, circley = %.3lg\n", i, particles[i].xc, particles[i].yc);
|
|
}
|
|
break;
|
|
}
|
|
case (C_SQUARE_HEX):
|
|
{
|
|
ncircles = NGRIDX*(NGRIDY+1);
|
|
dy = (YMAX - YMIN)/((double)NGRIDY);
|
|
dx = dy*0.5*sqrt(3.0);
|
|
for (i = 0; i < NGRIDX; i++)
|
|
for (j = 0; j < NGRIDY+1; j++)
|
|
{
|
|
n = (NGRIDY+1)*i + j;
|
|
particles[n].xc = ((double)(i-NGRIDX/2) + 0.5)*dy; /* is +0.5 needed? */
|
|
particles[n].yc = YMIN + ((double)j - 0.5)*dy;
|
|
if (((i+NGRIDX)%4 == 2)||((i+NGRIDX)%4 == 3)) particles[n].yc += 0.5*dy;
|
|
particles[n].radius = MU;
|
|
/* activate only circles that intersect the domain */
|
|
if ((particles[n].yc < YMAX + MU)&&(particles[n].yc > YMIN - MU)) particles[n].active = 1;
|
|
else particles[n].active = 0;
|
|
}
|
|
break;
|
|
}
|
|
case (C_ONE):
|
|
{
|
|
particles[ncircles].xc = 0.0;
|
|
particles[ncircles].yc = 0.0;
|
|
particles[ncircles].radius = MU;
|
|
particles[ncircles].active = 1;
|
|
ncircles += 1;
|
|
break;
|
|
}
|
|
case (C_TWO): /* used for comparison with cloak */
|
|
{
|
|
particles[ncircles].xc = 0.0;
|
|
particles[ncircles].yc = 0.0;
|
|
particles[ncircles].radius = MU;
|
|
particles[ncircles].active = 2;
|
|
ncircles += 1;
|
|
|
|
particles[ncircles].xc = 0.0;
|
|
particles[ncircles].yc = 0.0;
|
|
particles[ncircles].radius = 2.0*MU;
|
|
particles[ncircles].active = 1;
|
|
ncircles += 1;
|
|
break;
|
|
}
|
|
case (C_NOTHING):
|
|
{
|
|
ncircles += 0;
|
|
break;
|
|
}
|
|
default:
|
|
{
|
|
printf("Function init_circle_config not defined for this pattern \n");
|
|
}
|
|
}
|
|
}
|
|
|
|
void init_people_config(t_person people[NMAXCIRCLES])
|
|
/* initialise particle configuration */
|
|
{
|
|
t_particle particles[NMAXCIRCLES];
|
|
int n;
|
|
|
|
init_particle_config(particles);
|
|
|
|
for (n=0; n<ncircles; n++)
|
|
{
|
|
people[n].xc = particles[n].xc;
|
|
people[n].yc = particles[n].yc;
|
|
people[n].radius = particles[n].radius;
|
|
people[n].active = particles[n].active;
|
|
}
|
|
|
|
}
|
|
|
|
void init_obstacle_config(t_obstacle obstacle[NMAXOBSTACLES])
|
|
/* initialise particle configuration */
|
|
{
|
|
int i, j, n;
|
|
double x, y, dx, dy;
|
|
|
|
switch (OBSTACLE_PATTERN) {
|
|
case (O_CORNERS):
|
|
{
|
|
n = 0;
|
|
for (i = 0; i < 2; i++)
|
|
for (j = 0; j < 2; j++)
|
|
{
|
|
obstacle[n].xc = BCXMIN + ((double)i)*(BCXMAX - BCXMIN);
|
|
obstacle[n].yc = BCYMIN + ((double)j)*(BCYMAX - BCYMIN);
|
|
obstacle[n].radius = OBSTACLE_RADIUS;
|
|
obstacle[n].active = 1;
|
|
n++;
|
|
}
|
|
nobstacles = n;
|
|
break;
|
|
}
|
|
case (O_GALTON_BOARD):
|
|
{
|
|
dy = (YMAX - YMIN)/((double)NGRIDX + 3);
|
|
dx = dy/cos(PI/6.0);
|
|
n = 0;
|
|
for (i = 0; i < NGRIDX + 1; i++)
|
|
for (j = 0; j < i; j++)
|
|
{
|
|
obstacle[n].yc = YMAX - ((double)i)*dy;
|
|
obstacle[n].xc = ((double)j - 0.5*(double)i + 0.5)*dx;
|
|
obstacle[n].radius = OBSTACLE_RADIUS;
|
|
obstacle[n].active = 1;
|
|
n++;
|
|
}
|
|
nobstacles = n;
|
|
break;
|
|
}
|
|
default:
|
|
{
|
|
printf("Function init_obstacle_config not defined for this pattern \n");
|
|
}
|
|
}
|
|
}
|
|
|
|
|
|
/* Computation of interaction force */
|
|
|
|
double lennard_jones_force(double r, t_particle particle)
|
|
{
|
|
int i;
|
|
double rmin = 0.01, rplus, ratio = 1.0;
|
|
|
|
if (r > REPEL_RADIUS*particle.radius) return(0.0);
|
|
else
|
|
{
|
|
if (r > rmin) rplus = r;
|
|
else rplus = rmin;
|
|
|
|
// ratio = ipow(particle.eq_dist*particle.radius/rplus, 6);
|
|
ratio = ipow(particle.eq_dist*particle.radius/rplus, 3);
|
|
ratio = ratio*ratio;
|
|
|
|
return((ratio - 2.0*ratio*ratio)/rplus);
|
|
}
|
|
}
|
|
|
|
void aniso_lj_force(double r, double ca, double sa, double ca_rel, double sa_rel, double force[2], t_particle particle)
|
|
{
|
|
int i;
|
|
double rmin = 0.01, rplus, ratio = 1.0, c2, s2, c4, s4, a, aprime, f1, f2;
|
|
|
|
if (r > REPEL_RADIUS*particle.radius)
|
|
{
|
|
force[0] = 0.0;
|
|
force[1] = 0.0;
|
|
}
|
|
else
|
|
{
|
|
if (r > rmin) rplus = r;
|
|
else rplus = rmin;
|
|
|
|
// ratio = ipow(particle.eq_dist*particle.radius/rplus, 6);
|
|
ratio = ipow(particle.eq_dist*particle.radius/rplus, 3);
|
|
ratio = ratio*ratio;
|
|
|
|
/* cos(2phi) and sin(2phi) */
|
|
c2 = ca_rel*ca_rel - sa_rel*sa_rel;
|
|
s2 = 2.0*ca_rel*sa_rel;
|
|
|
|
/* cos(4phi) and sin(4phi) */
|
|
c4 = c2*c2 - s2*s2;
|
|
s4 = 2.0*c2*s2;
|
|
|
|
a = 0.5*(9.0 - 7.0*c4);
|
|
aprime = 14.0*s4;
|
|
|
|
f1 = ratio*(a - ratio)/rplus;
|
|
f2 = ratio*aprime/rplus;
|
|
|
|
force[0] = f1*ca - f2*sa;
|
|
force[1] = f1*sa + f2*ca;
|
|
}
|
|
}
|
|
|
|
void penta_lj_force(double r, double ca, double sa, double ca_rel, double sa_rel, double force[2], t_particle particle)
|
|
{
|
|
int i;
|
|
double rmin = 0.01, rplus, ratio = 1.0, c2, s2, c4, s4, c5, s5, a, aprime, f1, f2;
|
|
static double a0, b0;
|
|
static int first = 1;
|
|
|
|
if (first)
|
|
{
|
|
a0 = cos(0.1*PI) + 0.5;
|
|
b0 = a0 - 1.0;
|
|
first = 0;
|
|
}
|
|
|
|
if (r > REPEL_RADIUS*particle.radius)
|
|
{
|
|
force[0] = 0.0;
|
|
force[1] = 0.0;
|
|
}
|
|
else
|
|
{
|
|
if (r > rmin) rplus = r;
|
|
else rplus = rmin;
|
|
|
|
// ratio = ipow(particle.eq_dist*particle.radius/rplus, 6);
|
|
ratio = ipow(particle.eq_dist*particle.radius/rplus, 3);
|
|
ratio = ratio*ratio;
|
|
|
|
|
|
/* cos(2phi) and sin(2phi) */
|
|
c2 = ca_rel*ca_rel - sa_rel*sa_rel;
|
|
s2 = 2.0*ca_rel*sa_rel;
|
|
|
|
/* cos(4phi) and sin(4phi) */
|
|
c4 = c2*c2 - s2*s2;
|
|
s4 = 2.0*c2*s2;
|
|
|
|
/* cos(5phi) and sin(5phi) */
|
|
c5 = ca_rel*c4 - sa_rel*s4;
|
|
s5 = sa_rel*c4 + ca_rel*s4;
|
|
|
|
a = a0 - b0*c5;
|
|
aprime = 5.0*b0*s5;
|
|
|
|
f1 = ratio*(a - ratio)/rplus;
|
|
f2 = ratio*aprime/rplus;
|
|
|
|
force[0] = f1*ca - f2*sa;
|
|
force[1] = f1*sa + f2*ca;
|
|
}
|
|
}
|
|
|
|
double old_golden_ratio_force(double r, t_particle particle)
|
|
/* potential with two minima at distances whose ratio is the golden ratio Phi */
|
|
/* old version that does not work very well */
|
|
{
|
|
int i;
|
|
double x, y, z, rplus, ratio = 1.0, phi, a, phi3;
|
|
static int first = 1;
|
|
static double rmin, b, c, d;
|
|
|
|
if (first)
|
|
{
|
|
rmin = 0.5*particle.radius;
|
|
phi = 0.5*(1.0 + sqrt(5.0));
|
|
phi3 = 1.0/(phi*phi*phi);
|
|
a = 0.66;
|
|
b = 1.0 + phi3 + a;
|
|
d = phi3*a;
|
|
c = phi3 + a + d;
|
|
// b = 7.04;
|
|
// c = 13.66;
|
|
// d = 6.7;
|
|
first = 0;
|
|
printf("a = %.4lg, b = %.4lg, c = %.4lg, d = %.4lg\n", a, b, c, d);
|
|
}
|
|
|
|
if (r > REPEL_RADIUS*particle.radius) return(0.0);
|
|
else
|
|
{
|
|
if (r > rmin) rplus = r;
|
|
else rplus = rmin;
|
|
|
|
x = particle.eq_dist*particle.radius/rplus;
|
|
y = x*x*x;
|
|
z = d - c*y + b*y*y - y*y*y;
|
|
return(x*z/rplus);
|
|
}
|
|
}
|
|
|
|
double golden_ratio_force(double r, t_particle particle)
|
|
/* potential with two minima at distances whose ratio is the golden ratio Phi */
|
|
/* piecewise polynomial/LJ version */
|
|
{
|
|
int i;
|
|
double x, rplus, xm6, y1;
|
|
static int first = 1;
|
|
static double rmin, phi, a, h1, h2, phi6;
|
|
|
|
if (first)
|
|
{
|
|
rmin = 0.5*particle.radius;
|
|
phi = 0.5*(1.0 + sqrt(5.0));
|
|
a = 1.2;
|
|
|
|
h1 = 1.0; /* inner potential well depth */
|
|
h2 = 10.0; /* outer potential well depth */
|
|
phi6 = ipow(phi, 6);
|
|
|
|
first = 0;
|
|
}
|
|
|
|
if (r > REPEL_RADIUS*particle.radius) return(0.0);
|
|
else
|
|
{
|
|
if (r > rmin) rplus = r;
|
|
else rplus = rmin;
|
|
|
|
x = rplus/(particle.eq_dist*particle.radius);
|
|
// xm6 = 1.0/ipow(x, 6);
|
|
xm6 = 1.0/ipow(x, 3);
|
|
xm6 = xm6*xm6;
|
|
|
|
if (x <= 1.0) return(12.0*h1*xm6*(1.0 - xm6)/x);
|
|
else if (x <= a)
|
|
{
|
|
y1 = ipow(a - 1.0, 3);
|
|
return(6.0*h1*(x - 1.0)*(a - x)/y1);
|
|
}
|
|
else if (x <= phi)
|
|
{
|
|
y1 = ipow(phi - a, 3);
|
|
return(6.0*h2*(x - a)*(x - phi)/y1);
|
|
}
|
|
else return(12.0*h2*phi6*(1.0 - phi6*xm6)*xm6/x);
|
|
}
|
|
}
|
|
|
|
void dipole_lj_force(double r, double ca, double sa, double ca_rel, double sa_rel, double force[2], t_particle particle)
|
|
{
|
|
int i;
|
|
double rmin = 0.01, rplus, ratio = 1.0, a, aprime, f1, f2;
|
|
|
|
if (r > REPEL_RADIUS*MU)
|
|
{
|
|
force[0] = 0.0;
|
|
force[1] = 0.0;
|
|
}
|
|
else
|
|
{
|
|
if (r > rmin) rplus = r;
|
|
else rplus = rmin;
|
|
|
|
// ratio = ipow(particle.eq_dist*particle.radius/rplus, 6);
|
|
ratio = ipow(particle.eq_dist*particle.radius/rplus, 3);
|
|
ratio = ratio*ratio;
|
|
|
|
a = 1.0 + 0.25*ca_rel;
|
|
aprime = -0.25*sa_rel;
|
|
|
|
f1 = ratio*(a - ratio)/rplus;
|
|
f2 = ratio*aprime/rplus;
|
|
|
|
force[0] = f1*ca - f2*sa;
|
|
force[1] = f1*sa + f2*ca;
|
|
}
|
|
}
|
|
|
|
void quadrupole_lj_force(double r, double ca, double sa, double ca_rel, double sa_rel, double force[2], t_particle particle)
|
|
{
|
|
int i;
|
|
double rmin = 0.01, rplus, ratio = 1.0, a, aprime, f1, f2, ca2, sa2, x, y, dplus, dminus;
|
|
static int first = 1;
|
|
static double a0, b0, aplus, aminus;
|
|
|
|
if (first)
|
|
{
|
|
dplus = cos(0.2*PI)*cos(0.1*PI);
|
|
// dminus = 0.8*dplus;
|
|
dminus = QUADRUPOLE_RATIO*dplus;
|
|
aplus = ipow(1.0/dplus, 6);
|
|
aminus = ipow(1.0/dminus, 6);
|
|
// aminus = ipow(cos(0.2*PI)*(0.25 + 0.5*sin(0.1*PI)), 6);
|
|
a0 = 0.5*(aplus + aminus);
|
|
b0 = 0.5*(aplus - aminus);
|
|
first = 0;
|
|
}
|
|
|
|
if (r > REPEL_RADIUS*particle.radius)
|
|
{
|
|
force[0] = 0.0;
|
|
force[1] = 0.0;
|
|
}
|
|
else
|
|
{
|
|
if (r > rmin) rplus = r;
|
|
else rplus = rmin;
|
|
|
|
// ratio = ipow(particle.eq_dist*particle.radius/rplus, 6);
|
|
ratio = ipow(particle.eq_dist*particle.radius/rplus, 3);
|
|
ratio = ratio*ratio;
|
|
|
|
/* cos(2*phi) and sin(2*phi) */
|
|
ca2 = ca_rel*ca_rel - sa_rel*sa_rel;
|
|
sa2 = 2.0*ca_rel*sa_rel;
|
|
|
|
a = a0 + b0*ca2;
|
|
// if (a == 0.0) a = 1.0e-10;
|
|
aprime = -2.0*b0*sa2;
|
|
|
|
f1 = ratio*(a - ratio)/rplus;
|
|
f2 = ratio*aprime/rplus;
|
|
|
|
force[0] = f1*ca - f2*sa;
|
|
force[1] = f1*sa + f2*ca;
|
|
}
|
|
}
|
|
|
|
|
|
void quadrupole_lj_force2(double r, double ca, double sa, double ca_rel, double sa_rel, double force[2], t_particle particle)
|
|
{
|
|
int i;
|
|
double rmin = 0.01, rplus, ratio = 1.0, a, aprime, f1, f2, ca2, sa2, x, y, eqdist;
|
|
static int first = 1;
|
|
static double aplus, aminus, a0, b0;
|
|
|
|
if (first)
|
|
{
|
|
aplus = ipow(cos(0.2*PI)*cos(0.1*PI), 6);
|
|
aminus = 0.1*aplus;
|
|
// aminus = 0.0;
|
|
// aminus = -2.0*ipow(cos(0.2*PI)*(0.5*sin(0.1*PI)), 6);
|
|
// aminus = ipow(cos(0.2*PI)*(0.25 + 0.5*sin(0.1*PI)), 6);
|
|
a0 = 0.5*(aplus + aminus);
|
|
b0 = 0.5*(aplus - aminus);
|
|
first = 0;
|
|
}
|
|
|
|
if (r > REPEL_RADIUS*particle.radius)
|
|
{
|
|
force[0] = 0.0;
|
|
force[1] = 0.0;
|
|
}
|
|
else
|
|
{
|
|
if (r > rmin) rplus = r;
|
|
else rplus = rmin;
|
|
|
|
/* correct distance */
|
|
// ratio = ipow(particle.eq_dist*particle.radius/rplus, 6);
|
|
ratio = ipow(particle.eq_dist*particle.radius/rplus, 3);
|
|
ratio = ratio*ratio;
|
|
|
|
/* cos(2*phi) and sin(2*phi) */
|
|
|
|
ca2 = ca_rel*ca_rel - sa_rel*sa_rel;
|
|
sa2 = 2.0*ca_rel*sa_rel;
|
|
|
|
a = a0 + b0*ca2;
|
|
if (a == 0.0) a = 1.0e-10;
|
|
aprime = -2.0*b0*sa2;
|
|
|
|
// f1 = ratio*(a - ratio)/rplus;
|
|
// f2 = ratio*aprime/rplus;
|
|
|
|
f1 = ratio*(aplus - ratio)/(rplus);
|
|
f2 = ratio*(aminus - ratio)/(rplus);
|
|
|
|
// force[0] = f1*ca_rel - f2*sa_rel;
|
|
// force[1] = f1*sa_rel + f2*ca_rel;
|
|
|
|
force[0] = f1*ca - f2*sa;
|
|
force[1] = f1*sa + f2*ca;
|
|
}
|
|
}
|
|
|
|
double water_torque(double r, double ca, double sa, double ca_rel, double sa_rel, double ck_rel, double sk_rel)
|
|
/* compute torque of water molecule #k on water molecule #j (for interaction I_LJ_WATER) - OLD VERSION */
|
|
{
|
|
double c1p, c1m, c2p, c2m, s2p, s2m, s21, s21p, s21m, c21, c21p, c21m, torque;
|
|
double r2, rd, rd2, rr[3][3];
|
|
static double cw = -0.5, sw = 0.866025404, delta = 1.5*MU, d2 = 2.25*MU*MU;
|
|
int i, j;
|
|
|
|
c1p = ck_rel*cw - sk_rel*sw;
|
|
c1m = ck_rel*cw + sk_rel*sw;
|
|
c2p = ca_rel*cw - sa_rel*sw;
|
|
c2m = ca_rel*cw + sa_rel*sw;
|
|
s2p = sa_rel*cw + ca_rel*sw;
|
|
s2m = sa_rel*cw - ca_rel*sw;
|
|
|
|
s21 = sa_rel*ck_rel - ca_rel*sk_rel;
|
|
c21 = ca_rel*ck_rel + sa_rel*sk_rel;
|
|
|
|
s21p = s21*cw - c21*sw;
|
|
s21m = s21*cw + c21*sw;
|
|
c21p = c21*cw + s21*sw;
|
|
c21m = c21*cw - s21*sw;
|
|
|
|
r2 = r*r;
|
|
rd = 2.0*r*delta;
|
|
rd2 = r2 + d2;
|
|
|
|
rr[0][0] = r;
|
|
rr[0][1] = sqrt(rd2 + rd*c2p);
|
|
rr[0][2] = sqrt(rd2 + rd*c2m);
|
|
rr[1][0] = sqrt(rd2 - rd*c1p);
|
|
rr[2][0] = sqrt(rd2 - rd*c1m);
|
|
|
|
rr[1][1] = sqrt(r2 + rd*(c2p - c1p) + 2.0*d2*(1.0 - c21));
|
|
rr[1][2] = sqrt(r2 + rd*(c2m - c1p) + 2.0*d2*(1.0 - c21m));
|
|
rr[2][1] = sqrt(r2 + rd*(c2p - c1m) + 2.0*d2*(1.0 - c21p));
|
|
rr[2][2] = sqrt(r2 + rd*(c2m - c1m) + 2.0*d2*(1.0 - c21));
|
|
|
|
for (i=0; i<3; i++) for (j=0; j<3; j++)
|
|
{
|
|
if (rr[i][j] < 1.0e-4) rr[i][j] = 1.0e-4;
|
|
rr[i][j] = rr[i][j]*rr[i][j]*rr[i][j];
|
|
}
|
|
|
|
torque = rd*(s2p/rr[0][1] + s2m/rr[0][2]);
|
|
torque += -0.5*rd*(s2p/rr[1][1] + s2p/rr[2][1] + s2m/rr[1][2] + s2m/rr[2][2]);
|
|
torque += d2*(s21/rr[1][1] + s21/rr[2][2] + s21m/rr[1][2] + s21p/rr[2][1]);
|
|
|
|
return(torque);
|
|
|
|
}
|
|
|
|
double water_force(double r, double ca, double sa, double ca_rel, double sa_rel, double ck_rel, double sk_rel, double f[2])
|
|
/* compute force and torque of water molecule #k on water molecule #j (for interaction I_LJ_WATER) */
|
|
{
|
|
double x1[3], y1[3], x2[3], y2[3], rr[3][3], dx[3][3], dy[3][3], fx[3][3], fy[3][3], m[3][3], torque = 0.0;
|
|
static double cw[3], sw[3], q[3], d[3], delta = 1.25*MU, dmin = 0.5*MU, fscale = 1.0;
|
|
int i, j;
|
|
static int first = 1;
|
|
|
|
if (first)
|
|
{
|
|
cw[0] = 1.0; cw[1] = -0.5; cw[2] = -0.5;
|
|
sw[0] = 0.0; sw[1] = 866025404; sw[2] = -866025404; /* sines and cosines of angles */
|
|
q[0] = -2.0; q[1] = 1.0; q[2] = 1.0; /* charges */
|
|
d[0] = 0.5*delta; d[1] = delta; d[2] = delta; /* distances to center */
|
|
first = 0;
|
|
}
|
|
|
|
/* positions of O and H atoms */
|
|
for (i=0; i<3; i++)
|
|
{
|
|
x1[i] = d[i]*(ca_rel*cw[i] - sa_rel*sw[i]);
|
|
y1[i] = d[i]*(ca_rel*sw[i] + sa_rel*cw[i]);
|
|
x2[i] = r + d[i]*(ck_rel*cw[i] - sk_rel*sw[i]);
|
|
y2[i] = d[i]*(ck_rel*sw[i] + sk_rel*cw[i]);
|
|
}
|
|
|
|
/* relative positions */
|
|
for (i=0; i<3; i++) for (j=0; j<3; j++)
|
|
{
|
|
dx[i][j] = x2[j] - x1[i];
|
|
dy[i][j] = y2[j] - y1[i];
|
|
rr[i][j] = module2(dx[i][j], dy[i][j]);
|
|
if (rr[i][j] < dmin) rr[i][j] = dmin;
|
|
rr[i][j] = ipow(rr[i][j],3);
|
|
// rr[i][j] = rr[i][j]*rr[i][j]*rr[i][j];
|
|
}
|
|
|
|
/* forces between particles */
|
|
for (i=0; i<3; i++) for (j=0; j<3; j++)
|
|
{
|
|
fx[i][j] = -q[i]*q[j]*dx[i][j]/rr[i][j];
|
|
fy[i][j] = -q[i]*q[j]*dy[i][j]/rr[i][j];
|
|
}
|
|
|
|
/* torques between particles */
|
|
for (i=0; i<3; i++) for (j=0; j<3; j++)
|
|
{
|
|
m[i][j] = x1[i]*fy[i][j] - y1[i]*fx[i][j];
|
|
}
|
|
|
|
/* total force */
|
|
f[0] = 0.0;
|
|
f[1] = 0.0;
|
|
for (i=0; i<3; i++) for (j=0; j<3; j++)
|
|
{
|
|
f[0] += fscale*fx[i][j];
|
|
f[1] += fscale*fy[i][j];
|
|
torque += fscale*m[i][j];
|
|
}
|
|
|
|
return(torque);
|
|
}
|
|
|
|
int compute_particle_interaction(int i, int k, double force[2], double *torque, t_particle* particle,
|
|
double distance, double krepel, double ca, double sa, double ca_rel, double sa_rel)
|
|
/* compute repelling force and torque of particle #k on particle #i */
|
|
/* returns 1 if distance between particles is smaller than NBH_DIST_FACTOR*MU */
|
|
{
|
|
double x1, y1, x2, y2, r, f, angle, aniso, fx, fy, ff[2], dist_scaled, spin_f, ck, sk, ck_rel, sk_rel;
|
|
static double dxhalf = 0.5*(BCXMAX - BCXMIN), dyhalf = 0.5*(BCYMAX - BCYMIN);
|
|
int wwrapx, wwrapy;
|
|
|
|
x1 = particle[i].xc;
|
|
y1 = particle[i].yc;
|
|
x2 = particle[k].xc;
|
|
y2 = particle[k].yc;
|
|
|
|
wwrapx = ((BOUNDARY_COND == BC_KLEIN)||(BOUNDARY_COND == BC_BOY))&&(vabs(x2 - x1) > dxhalf);
|
|
wwrapy = (BOUNDARY_COND == BC_BOY)&&(vabs(y2 - y1) > dyhalf);
|
|
|
|
switch (particle[k].interaction) {
|
|
case (I_COULOMB):
|
|
{
|
|
f = -krepel/(1.0e-8 + distance*distance);
|
|
force[0] = f*ca;
|
|
force[1] = f*sa;
|
|
break;
|
|
}
|
|
case (I_LENNARD_JONES):
|
|
{
|
|
f = krepel*lennard_jones_force(distance, particle[k]);
|
|
force[0] = f*ca;
|
|
force[1] = f*sa;
|
|
break;
|
|
}
|
|
case (I_LJ_DIRECTIONAL):
|
|
{
|
|
aniso_lj_force(distance, ca, sa, ca_rel, sa_rel, ff, particle[k]);
|
|
force[0] = krepel*ff[0];
|
|
force[1] = krepel*ff[1];
|
|
break;
|
|
}
|
|
case (I_LJ_PENTA):
|
|
{
|
|
penta_lj_force(distance, ca, sa, ca_rel, sa_rel, ff, particle[k]);
|
|
force[0] = krepel*ff[0];
|
|
force[1] = krepel*ff[1];
|
|
break;
|
|
}
|
|
case (I_GOLDENRATIO):
|
|
{
|
|
f = krepel*golden_ratio_force(distance, particle[k]);
|
|
force[0] = f*ca;
|
|
force[1] = f*sa;
|
|
break;
|
|
}
|
|
case (I_LJ_DIPOLE):
|
|
{
|
|
dipole_lj_force(distance, ca, sa, ca_rel, sa_rel, ff, particle[k]);
|
|
force[0] = krepel*ff[0];
|
|
force[1] = krepel*ff[1];
|
|
break;
|
|
}
|
|
case (I_LJ_QUADRUPOLE):
|
|
{
|
|
quadrupole_lj_force(distance, ca, sa, ca_rel, sa_rel, ff, particle[k]);
|
|
force[0] = krepel*ff[0];
|
|
force[1] = krepel*ff[1];
|
|
break;
|
|
}
|
|
case (I_LJ_WATER):
|
|
{
|
|
f = krepel*lennard_jones_force(distance, particle[k]);
|
|
force[0] = f*ca;
|
|
force[1] = f*sa;
|
|
break;
|
|
}
|
|
}
|
|
|
|
if (ROTATION)
|
|
{
|
|
dist_scaled = distance/(particle[i].spin_range*particle[i].radius);
|
|
switch (particle[k].interaction) {
|
|
case (I_LJ_WATER):
|
|
{
|
|
ck = cos(particle[k].angle);
|
|
sk = sin(particle[k].angle);
|
|
ck_rel = ca*ck + sa*sk;
|
|
sk_rel = sa*ck - ca*sk;
|
|
// *torque = (-3.0*ca_rel*sk_rel + 2.0*sa_rel*ck_rel)/(1.0e-12 + dist_scaled*dist_scaled*dist_scaled);
|
|
// *torque = water_torque(distance, ca, sa, ca_rel, sa_rel, ck_rel, sk_rel);
|
|
// *torque = (0.5*sin(angle) + 0.5*sin(2.0*angle) - 0.45*sin(3.0*angle))/(1.0e-12 + dist_scaled*dist_scaled*dist_scaled);
|
|
|
|
*torque = water_force(distance, ca, sa, ca_rel, sa_rel, ck_rel, sk_rel, ff);
|
|
force[0] += ff[0];
|
|
force[1] += ff[1];
|
|
// printf("force = (%.3lg, %.3lg)\n", ff[0], ff[1]);
|
|
break;
|
|
}
|
|
default:
|
|
{
|
|
spin_f = particle[i].spin_freq;
|
|
if (wwrapx||wwrapy) *torque = sin(spin_f*(-particle[k].angle - particle[i].angle))/(1.0e-8 + dist_scaled*dist_scaled);
|
|
else
|
|
*torque = sin(spin_f*(particle[k].angle - particle[i].angle))/(1.0e-8 + dist_scaled*dist_scaled);
|
|
}
|
|
}
|
|
|
|
if (particle[i].type == particle[k].type)
|
|
{
|
|
if (particle[i].type == 0) *torque *= KTORQUE;
|
|
else *torque *= KTORQUE_B;
|
|
}
|
|
else *torque *= KTORQUE_DIFF;
|
|
}
|
|
else *torque = 0.0;
|
|
|
|
if ((distance < NBH_DIST_FACTOR*particle[i].radius)&&(k != i)) return(1);
|
|
// if ((distance < NBH_DIST_FACTOR*particle[i].radius)) return(1);
|
|
else return(0);
|
|
}
|
|
|
|
|
|
int compute_repelling_force(int i, int j, double force[2], double *torque, t_particle* particle, double krepel)
|
|
/* compute repelling force of neighbour #j on particle #i */
|
|
/* returns 1 if distance between particles is smaller than NBH_DIST_FACTOR*MU */
|
|
{
|
|
double distance, ca, sa, cj, sj, ca_rel, sa_rel, f[2], ff[2], torque1, ck, sk, ck_rel, sk_rel;
|
|
static double distmin = 10.0*((XMAX - XMIN)/HASHX + (YMAX - YMIN)/HASHY);
|
|
int interact, k;
|
|
|
|
k = particle[i].hashneighbour[j];
|
|
|
|
distance = module2(particle[i].deltax[j], particle[i].deltay[j]);
|
|
|
|
/* for monitoring purposes */
|
|
if (distance > distmin)
|
|
{
|
|
printf("i = %i, hashcell %i, j = %i, hashcell %i\n", i, particle[i].hashcell, k, particle[k].hashcell);
|
|
printf("X = (%.3lg, %.3lg)\n", particle[i].xc, particle[i].yc);
|
|
printf("Y = (%.3lg, %.3lg) d = %.3lg\n", particle[k].xc, particle[k].yc, distance);
|
|
}
|
|
|
|
if ((distance == 0.0)||(i == k))
|
|
{
|
|
force[0] = 0.0;
|
|
force[1] = 0.0;
|
|
*torque = 0.0;
|
|
return(1);
|
|
}
|
|
else if (distance > REPEL_RADIUS*particle[i].radius)
|
|
{
|
|
force[0] = 0.0;
|
|
force[1] = 0.0;
|
|
*torque = 0.0;
|
|
return(0);
|
|
}
|
|
else
|
|
{
|
|
/* to avoid numerical problems, assign minimal value to distance */
|
|
if (distance < 0.1*particle[i].radius) distance = 0.1*particle[i].radius;
|
|
|
|
ca = (particle[i].deltax[j])/distance;
|
|
sa = (particle[i].deltay[j])/distance;
|
|
|
|
/* compute relative angle in case particles can rotate */
|
|
if (ROTATION)
|
|
{
|
|
cj = cos(particle[j].angle);
|
|
sj = sin(particle[j].angle);
|
|
ca_rel = ca*cj + sa*sj;
|
|
sa_rel = sa*cj - ca*sj;
|
|
}
|
|
else
|
|
{
|
|
ca_rel = ca;
|
|
sa_rel = sa;
|
|
}
|
|
|
|
interact = compute_particle_interaction(i, k, f, torque, particle, distance, krepel, ca, sa, ca_rel, sa_rel);
|
|
|
|
if (SYMMETRIZE_FORCE)
|
|
{
|
|
torque1 = *torque;
|
|
// compute_particle_interaction(k, i, ff, torque, particle, distance, krepel, ca, sa, ca_rel, sa_rel);
|
|
ck = cos(particle[j].angle);
|
|
sk = sin(particle[j].angle);
|
|
ck_rel = ca*ck + sa*sk;
|
|
sk_rel = sa*ck - ca*sk;
|
|
compute_particle_interaction(k, i, ff, torque, particle, distance, krepel, -ca, -sa, -ck_rel, -sk_rel);
|
|
force[0] = 0.5*(f[0] - ff[0]);
|
|
force[1] = 0.5*(f[1] - ff[1]);
|
|
*torque = 0.5*(torque1 - *torque);
|
|
// *torque = 0.5*(*torque + torque1);
|
|
}
|
|
else
|
|
{
|
|
force[0] = f[0];
|
|
force[1] = f[1];
|
|
}
|
|
|
|
// printf("force = (%.3lg, %.3lg), torque = %.3lg\n", f[0], f[1], *torque);
|
|
return(interact);
|
|
}
|
|
}
|
|
|
|
|
|
int resample_particle(int n, int maxtrials, t_particle particle[NMAXCIRCLES])
|
|
/* resample y coordinate of particle n, returns 1 if no collision is created */
|
|
{
|
|
double x, y, dist, dmin = 10.0;
|
|
int i, j, closeby = 0, success = 0, trials = 0;
|
|
|
|
while ((!success)&&(trials < maxtrials))
|
|
{
|
|
success = 1;
|
|
x = particle[n].xc - MU*(double)rand()/RAND_MAX;
|
|
y = 0.9*(BCYMIN + (BCYMAX - BCYMIN)*(double)rand()/RAND_MAX);
|
|
i = 0;
|
|
while ((success)&&(i<ncircles))
|
|
{
|
|
if ((i!=n)&&(particle[i].active))
|
|
{
|
|
// dist = module2(x - particle[i].xc, y - particle[i].yc);
|
|
for (j=-1; j<2; j++)
|
|
{
|
|
dist = module2(x - particle[i].xc - (double)j*(BCXMAX - BCXMIN), y - particle[i].yc);
|
|
if (dist < dmin) dmin = dist;
|
|
}
|
|
if (dmin < SAFETY_FACTOR*MU) success = 0;
|
|
}
|
|
i++;
|
|
}
|
|
trials++;
|
|
// printf("Trial no %i - (%.3lg, %.3lg)\t", trials, x, y);
|
|
}
|
|
|
|
if (success)
|
|
{
|
|
printf("\nTrial %i succesful\n", trials);
|
|
printf("Moving particle %i from (%.3lg, %.3lg) to (%.3lg, %.3lg)\n\n", n, particle[n].xc, particle[n].yc, x, y);
|
|
particle[n].xc = x;
|
|
particle[n].yc = y;
|
|
particle[n].vx = V_INITIAL*gaussian();
|
|
particle[n].vy = V_INITIAL*gaussian();
|
|
// particle[n].vy = V_INITIAL*(double)rand()/RAND_MAX;
|
|
return(1);
|
|
}
|
|
else
|
|
{
|
|
printf("\nCannot move particle %i\n\n", n);
|
|
return(0);
|
|
}
|
|
|
|
}
|
|
|
|
int add_particle(double x, double y, double vx, double vy, double mass, short int type, t_particle particle[NMAXCIRCLES])
|
|
{
|
|
int i, closeby = 0;
|
|
double dist;
|
|
|
|
/* test distance to other particles */
|
|
for (i=0; i<ncircles; i++)
|
|
{
|
|
dist = module2(x - particle[i].xc, y - particle[i].yc);
|
|
if ((particle[i].active)&&(dist < SAFETY_FACTOR*MU)) closeby = 1;
|
|
}
|
|
|
|
if ((closeby)||(ncircles >= NMAXCIRCLES))
|
|
{
|
|
printf("Cannot add particle at (%.3lg, %.3lg)\n", x, y);
|
|
return(0);
|
|
}
|
|
else
|
|
{
|
|
i = ncircles;
|
|
|
|
particle[i].type = type;
|
|
|
|
particle[i].xc = x;
|
|
particle[i].yc = y;
|
|
particle[i].radius = MU*sqrt(mass);
|
|
particle[i].active = 1;
|
|
particle[i].neighb = 0;
|
|
particle[i].thermostat = 1;
|
|
|
|
particle[i].energy = 0.0;
|
|
|
|
if (RANDOM_RADIUS) particle[i].radius = particle[i].radius*(0.75 + 0.5*((double)rand()/RAND_MAX));
|
|
|
|
particle[i].mass_inv = 1.0/mass;
|
|
if (particle[i].type == 0) particle[i].inertia_moment_inv = 1.0/PARTICLE_INERTIA_MOMENT;
|
|
else particle[i].inertia_moment_inv = 1.0/PARTICLE_INERTIA_MOMENT;
|
|
|
|
particle[i].vx = vx;
|
|
particle[i].vy = vy;
|
|
particle[i].energy = (particle[i].vx*particle[i].vx + particle[i].vy*particle[i].vy)*particle[i].mass_inv;
|
|
|
|
particle[i].angle = DPI*(double)rand()/RAND_MAX;
|
|
particle[i].omega = 0.0;
|
|
|
|
if (particle[i].type == 1)
|
|
{
|
|
particle[i].interaction = INTERACTION_B;
|
|
particle[i].eq_dist = EQUILIBRIUM_DIST_B;
|
|
particle[i].spin_range = SPIN_RANGE_B;
|
|
particle[i].spin_freq = SPIN_INTER_FREQUENCY_B;
|
|
}
|
|
|
|
ncircles++;
|
|
|
|
printf("Added particle at (%.3lg, %.3lg)\n", x, y);
|
|
printf("Number of particles: %i\n", ncircles);
|
|
|
|
return(1);
|
|
}
|
|
}
|
|
|
|
double neighbour_color(int nnbg)
|
|
{
|
|
if (nnbg > 7) nnbg = 7;
|
|
switch(nnbg){
|
|
case (7): return(340.0);
|
|
case (6): return(310.0);
|
|
case (5): return(260.0);
|
|
case (4): return(200.0);
|
|
case (3): return(140.0);
|
|
case (2): return(100.0);
|
|
case (1): return(70.0);
|
|
default: return(30.0);
|
|
}
|
|
}
|
|
|
|
|
|
void compute_entropy(t_particle particle[NMAXCIRCLES], double entropy[2])
|
|
{
|
|
int i, nleft1 = 0, nleft2 = 0;
|
|
double p1, p2;
|
|
static int first = 1, ntot1 = 0, ntot2 = 0;
|
|
static double log2;
|
|
|
|
if (first)
|
|
{
|
|
log2 = log(2.0);
|
|
for (i=0; i<ncircles; i++) if (particle[i].type == 0) ntot1++;
|
|
else ntot2++;
|
|
first = 0;
|
|
}
|
|
|
|
for (i=0; i<ncircles; i++)
|
|
{
|
|
if (particle[i].type == 0)
|
|
{
|
|
if (particle[i].xc < 0.0) nleft1++;
|
|
}
|
|
else
|
|
{
|
|
if (particle[i].xc < 0.0) nleft2++;
|
|
}
|
|
}
|
|
p1 = (double)nleft1/(double)ntot1;
|
|
p2 = (double)nleft2/(double)ntot2;
|
|
printf("Type 1: nleft = %i, ntot = %i, p = %.3lg\n", nleft1, ntot1, p1);
|
|
printf("Type 2: nleft = %i, ntot = %i, p = %.3lg\n", nleft2, ntot2, p2);
|
|
if ((p1==0.0)||(p1==1.0)) entropy[0] = 0.0;
|
|
else entropy[0] = -(p1*log(p1) + (1.0-p1)*log(1.0-p1)/log2);
|
|
if ((p2==0.0)||(p2==1.0)) entropy[1] = 0.0;
|
|
else entropy[1] = -(p2*log(p2) + (1.0-p2)*log(1.0-p2)/log2);
|
|
}
|
|
|
|
|
|
void draw_one_particle(t_particle particle, double xc, double yc, double radius, double angle, int nsides, double width, double rgb[3])
|
|
/* draw one of the particles */
|
|
{
|
|
double ca, sa, x1, x2, y1, y2, xc1, wangle;
|
|
int wsign;
|
|
|
|
if (CENTER_VIEW_ON_OBSTACLE) xc1 = xc - xshift;
|
|
else xc1 = xc;
|
|
glColor3f(rgb[0], rgb[1], rgb[2]);
|
|
if ((particle.interaction == I_LJ_QUADRUPOLE)||(particle.interaction == I_LJ_DIPOLE))
|
|
draw_colored_rhombus(xc1, yc, radius, angle + APOLY*PID, rgb);
|
|
else draw_colored_polygon(xc1, yc, radius, nsides, angle + APOLY*PID, rgb);
|
|
|
|
/* draw crosses on particles of second type */
|
|
if ((TWO_TYPES)&&(DRAW_CROSS))
|
|
if (particle.type == 1)
|
|
{
|
|
if (ROTATION) angle = angle + APOLY*PID;
|
|
else angle = APOLY*PID;
|
|
ca = cos(angle);
|
|
sa = sin(angle);
|
|
glLineWidth(3);
|
|
glColor3f(0.0, 0.0, 0.0);
|
|
x1 = xc1 - MU_B*ca;
|
|
y1 = yc - MU_B*sa;
|
|
x2 = xc1 + MU_B*ca;
|
|
y2 = yc + MU_B*sa;
|
|
draw_line(x1, y1, x2, y2);
|
|
x1 = xc1 - MU_B*sa;
|
|
y1 = yc + MU_B*ca;
|
|
x2 = xc1 + MU_B*sa;
|
|
y2 = yc - MU_B*ca;
|
|
draw_line(x1, y1, x2, y2);
|
|
}
|
|
|
|
glLineWidth(width);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
if ((particle.interaction == I_LJ_QUADRUPOLE)||(particle.interaction == I_LJ_DIPOLE))
|
|
draw_rhombus(xc1, yc, radius, angle + APOLY*PID);
|
|
else draw_polygon(xc1, yc, radius, nsides, angle + APOLY*PID);
|
|
|
|
if (particle.interaction == I_LJ_WATER) for (wsign = -1; wsign <= 1; wsign+=2)
|
|
{
|
|
wangle = particle.angle + (double)wsign*DPI/3.0;
|
|
x1 = xc1 + particle.radius*cos(wangle);
|
|
y1 = yc + particle.radius*sin(wangle);
|
|
draw_colored_polygon(x1, y1, 0.5*radius, nsides, angle + APOLY*PID, rgb);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
draw_polygon(x1, y1, 0.5*radius, nsides, angle + APOLY*PID);
|
|
}
|
|
}
|
|
|
|
|
|
void draw_trajectory(t_tracer trajectory[TRAJECTORY_LENGTH], int traj_position, int traj_length)
|
|
/* draw tracer particle trajectory */
|
|
{
|
|
int i, time;
|
|
double x1, x2, y1, y2, rgb[3], lum;
|
|
|
|
blank();
|
|
glLineWidth(TRAJECTORY_WIDTH);
|
|
hsl_to_rgb(70.0, 0.9, 0.5, rgb);
|
|
glColor3f(rgb[0], rgb[1], rgb[2]);
|
|
|
|
if (traj_length < TRAJECTORY_LENGTH)
|
|
for (i=0; i < traj_length-1; i++)
|
|
{
|
|
x1 = trajectory[i].xc;
|
|
x2 = trajectory[i+1].xc;
|
|
y1 = trajectory[i].yc;
|
|
y2 = trajectory[i+1].yc;
|
|
|
|
time = traj_length - i;
|
|
lum = 1.0 - (double)time/(double)TRAJECTORY_LENGTH;
|
|
glColor3f(lum*rgb[0], lum*rgb[1], lum*rgb[2]);
|
|
|
|
if (module2(x2 - x1, y2 - y1) < 0.25*(YMAX - YMIN)) draw_line(x1, y1, x2, y2);
|
|
}
|
|
else
|
|
{
|
|
for (i = traj_position + 1; i < traj_length-1; i++)
|
|
{
|
|
x1 = trajectory[i].xc;
|
|
x2 = trajectory[i+1].xc;
|
|
y1 = trajectory[i].yc;
|
|
y2 = trajectory[i+1].yc;
|
|
|
|
time = traj_position + traj_length - i;
|
|
lum = 1.0 - (double)time/(double)TRAJECTORY_LENGTH;
|
|
glColor3f(lum*rgb[0], lum*rgb[1], lum*rgb[2]);
|
|
|
|
if (module2(x2 - x1, y2 - y1) < 0.1*(YMAX - YMIN)) draw_line(x1, y1, x2, y2);
|
|
}
|
|
for (i=0; i < traj_position-1; i++)
|
|
{
|
|
x1 = trajectory[i].xc;
|
|
x2 = trajectory[i+1].xc;
|
|
y1 = trajectory[i].yc;
|
|
y2 = trajectory[i+1].yc;
|
|
|
|
time = traj_position - i;
|
|
lum = 1.0 - (double)time/(double)TRAJECTORY_LENGTH;
|
|
glColor3f(lum*rgb[0], lum*rgb[1], lum*rgb[2]);
|
|
|
|
if (module2(x2 - x1, y2 - y1) < 0.1*(YMAX - YMIN)) draw_line(x1, y1, x2, y2);
|
|
}
|
|
}
|
|
}
|
|
|
|
|
|
void draw_particles(t_particle particle[NMAXCIRCLES], int plot)
|
|
{
|
|
int i, j, k, m, width, nnbg, nsides;
|
|
double ej, hue, huex, huey, rgb[3], rgbx[3], rgby[3], radius, x1, y1, x2, y2, angle, ca, sa, length, linkcolor, sign = 1.0, angle1, signy = 1.0;
|
|
char message[100];
|
|
|
|
if (!TRACER_PARTICLE) blank();
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
|
|
/* draw the bonds first */
|
|
if (plot == P_BONDS)
|
|
{
|
|
glLineWidth(LINK_WIDTH);
|
|
for (j=0; j<ncircles; j++) if (particle[j].active)
|
|
{
|
|
// radius = particle[j].radius;
|
|
for (k = 0; k < particle[j].hash_nneighb; k++)
|
|
{
|
|
x1 = particle[j].xc;
|
|
y1 = particle[j].yc;
|
|
x2 = x1 + particle[j].deltax[k];
|
|
y2 = y1 + particle[j].deltay[k];
|
|
|
|
length = module2(particle[j].deltax[k], particle[j].deltay[k])/particle[j].radius;
|
|
|
|
if (COLOR_BONDS)
|
|
{
|
|
if (length < 1.5) linkcolor = 1.0;
|
|
else linkcolor = 1.0 - 0.75*(length - 1.5)/(NBH_DIST_FACTOR - 1.5);
|
|
glColor3f(linkcolor, linkcolor, linkcolor);
|
|
}
|
|
|
|
if (length < 1.0*NBH_DIST_FACTOR)
|
|
draw_line(x1, y1, x2, y2);
|
|
}
|
|
|
|
// sprintf(message, "%i - %i", particle[j].hash_nneighb, particle[j].hashcell);
|
|
// write_text(particle[j].xc, particle[j].yc, message);
|
|
}
|
|
}
|
|
|
|
/* determine particle color and size */
|
|
for (j=0; j<ncircles; j++) if (particle[j].active)
|
|
{
|
|
switch (plot) {
|
|
case (P_KINETIC):
|
|
{
|
|
ej = particle[j].energy;
|
|
if (ej > 0.0)
|
|
{
|
|
hue = ENERGY_HUE_MIN + (ENERGY_HUE_MAX - ENERGY_HUE_MIN)*ej/PARTICLE_EMAX;
|
|
if (hue > ENERGY_HUE_MIN) hue = ENERGY_HUE_MIN;
|
|
if (hue < ENERGY_HUE_MAX) hue = ENERGY_HUE_MAX;
|
|
}
|
|
radius = particle[j].radius;
|
|
width = BOUNDARY_WIDTH;
|
|
break;
|
|
}
|
|
case (P_NEIGHBOURS):
|
|
{
|
|
hue = neighbour_color(particle[j].neighb);
|
|
radius = particle[j].radius;
|
|
width = BOUNDARY_WIDTH;
|
|
break;
|
|
}
|
|
case (P_BONDS):
|
|
{
|
|
// if (particle[j].type == 1) hue = 70.0; /* to make second particle type more visible */
|
|
// if (particle[j].type == 1) hue = neighbour_color(7 - particle[j].neighb);
|
|
// else
|
|
hue = neighbour_color(particle[j].neighb);
|
|
radius = particle[j].radius;
|
|
width = 1;
|
|
break;
|
|
}
|
|
case (P_ANGLE):
|
|
{
|
|
angle = particle[j].angle;
|
|
hue = angle*particle[j].spin_freq/DPI;
|
|
hue -= (double)((int)hue);
|
|
huex = (DPI - angle)*particle[j].spin_freq/DPI;
|
|
huex -= (double)((int)huex);
|
|
angle = PI - angle;
|
|
if (angle < 0.0) angle += DPI;
|
|
huey = angle*particle[j].spin_freq/DPI;
|
|
huey -= (double)((int)huey);
|
|
hue = PARTICLE_HUE_MIN + (PARTICLE_HUE_MAX - PARTICLE_HUE_MIN)*hue;
|
|
huex = PARTICLE_HUE_MIN + (PARTICLE_HUE_MAX - PARTICLE_HUE_MIN)*huex;
|
|
huey = PARTICLE_HUE_MIN + (PARTICLE_HUE_MAX - PARTICLE_HUE_MIN)*huey;
|
|
radius = particle[j].radius;
|
|
width = BOUNDARY_WIDTH;
|
|
break;
|
|
}
|
|
case (P_TYPE):
|
|
{
|
|
// if (particle[j].type == 0) hue = 310.0;
|
|
// else hue = 70.0;
|
|
if (particle[j].type == 0) hue = HUE_TYPE0;
|
|
else hue = HUE_TYPE1;
|
|
radius = particle[j].radius;
|
|
width = BOUNDARY_WIDTH;
|
|
break;
|
|
}
|
|
case (P_DIRECTION):
|
|
{
|
|
hue = argument(particle[j].vx, particle[j].vy);
|
|
if (hue > DPI) hue -= DPI;
|
|
if (hue < 0.0) hue += DPI;
|
|
hue = PARTICLE_HUE_MIN + (PARTICLE_HUE_MAX - PARTICLE_HUE_MIN)*hue/DPI;
|
|
radius = particle[j].radius;
|
|
width = BOUNDARY_WIDTH;
|
|
break;
|
|
}
|
|
case (P_ANGULAR_SPEED):
|
|
{
|
|
hue = 160.0*(1.0 + tanh(SLOPE*particle[j].omega));
|
|
// printf("omega = %.3lg, hue = %.3lg\n", particle[j].omega, hue);
|
|
radius = particle[j].radius;
|
|
width = BOUNDARY_WIDTH;
|
|
break;
|
|
}
|
|
}
|
|
|
|
switch (particle[j].interaction) {
|
|
case (I_LJ_DIRECTIONAL):
|
|
{
|
|
nsides = 4;
|
|
break;
|
|
}
|
|
case (I_LJ_PENTA):
|
|
{
|
|
nsides = 5;
|
|
break;
|
|
}
|
|
case (I_LJ_QUADRUPOLE):
|
|
{
|
|
nsides = 4;
|
|
break;
|
|
}
|
|
case (I_LJ_WATER):
|
|
{
|
|
nsides = NSEG;
|
|
radius *= 0.75;
|
|
break;
|
|
}
|
|
default: nsides = NSEG;
|
|
}
|
|
|
|
switch (plot) {
|
|
case (P_KINETIC):
|
|
{
|
|
hsl_to_rgb_turbo(hue, 0.9, 0.5, rgb);
|
|
hsl_to_rgb_turbo(hue, 0.9, 0.5, rgbx);
|
|
hsl_to_rgb_turbo(hue, 0.9, 0.5, rgby);
|
|
break;
|
|
}
|
|
case (P_BONDS):
|
|
{
|
|
hsl_to_rgb_turbo(hue, 0.9, 0.5, rgb);
|
|
hsl_to_rgb_turbo(hue, 0.9, 0.5, rgbx);
|
|
hsl_to_rgb_turbo(hue, 0.9, 0.5, rgby);
|
|
break;
|
|
}
|
|
case (P_DIRECTION):
|
|
{
|
|
hsl_to_rgb_twilight(hue, 0.9, 0.5, rgb);
|
|
hsl_to_rgb_twilight(hue, 0.9, 0.5, rgbx);
|
|
hsl_to_rgb_twilight(hue, 0.9, 0.5, rgby);
|
|
break;
|
|
}
|
|
default:
|
|
{
|
|
hsl_to_rgb(hue, 0.9, 0.5, rgb);
|
|
hsl_to_rgb(hue, 0.9, 0.5, rgbx);
|
|
hsl_to_rgb(hue, 0.9, 0.5, rgby);
|
|
}
|
|
}
|
|
angle = particle[j].angle + APOLY*DPI;
|
|
|
|
draw_one_particle(particle[j], particle[j].xc, particle[j].yc, radius, angle, nsides, width, rgb);
|
|
|
|
/* in case of periodic b.c., draw translates of particles */
|
|
if (PERIODIC_BC)
|
|
{
|
|
x1 = particle[j].xc;
|
|
y1 = particle[j].yc;
|
|
|
|
for (i=-2; i<3; i++)
|
|
for (k=-1; k<2; k++)
|
|
draw_one_particle(particle[j], x1 + (double)i*(BCXMAX - BCXMIN), y1 + (double)k*(BCYMAX - BCYMIN), radius, angle, nsides, width, rgb);
|
|
}
|
|
else if (BOUNDARY_COND == BC_KLEIN)
|
|
{
|
|
x1 = particle[j].xc;
|
|
y1 = particle[j].yc;
|
|
|
|
for (i=-2; i<3; i++)
|
|
{
|
|
if (vabs(i) == 1) sign = -1.0;
|
|
else sign = 1.0;
|
|
angle1 = angle*sign;
|
|
for (k=-1; k<2; k++)
|
|
draw_one_particle(particle[j], x1 + (double)i*(BCXMAX - BCXMIN), sign*(y1 + (double)k*(BCYMAX - BCYMIN)),
|
|
radius, angle1, nsides, width, rgb);
|
|
}
|
|
}
|
|
else if (BOUNDARY_COND == BC_BOY)
|
|
{
|
|
x1 = particle[j].xc;
|
|
y1 = particle[j].yc;
|
|
|
|
for (i=-1; i<2; i++) for (k=-1; k<2; k++)
|
|
{
|
|
if (vabs(i) == 1) sign = -1.0;
|
|
else sign = 1.0;
|
|
if (vabs(k) == 1) signy = -1.0;
|
|
else signy = 1.0;
|
|
if (signy == 1.0) angle1 = angle*sign;
|
|
else angle1 = PI - angle;
|
|
if (sign == -1.0) draw_one_particle(particle[j], signy*(x1 + (double)i*(BCXMAX - BCXMIN)),
|
|
sign*(y1 + (double)k*(BCYMAX - BCYMIN)), radius, angle1, nsides, width, rgbx);
|
|
else if (signy == -1.0) draw_one_particle(particle[j], signy*(x1 + (double)i*(BCXMAX - BCXMIN)),
|
|
sign*(y1 + (double)k*(BCYMAX - BCYMIN)), radius, angle1, nsides, width, rgby);
|
|
else draw_one_particle(particle[j], signy*(x1 + (double)i*(BCXMAX - BCXMIN)),
|
|
sign*(y1 + (double)k*(BCYMAX - BCYMIN)), radius, angle1, nsides, width, rgb);
|
|
}
|
|
}
|
|
}
|
|
|
|
// /* draw spin vectors */
|
|
if ((DRAW_SPIN)||(DRAW_SPIN_B))
|
|
{
|
|
glLineWidth(width);
|
|
for (j=0; j<ncircles; j++)
|
|
if ((particle[j].active)&&(((DRAW_SPIN)&&(particle[j].type == 0))||((DRAW_SPIN_B)&&(particle[j].type == 1))))
|
|
{
|
|
// x1 = particle[j].xc - 2.0*MU*cos(particle[j].angle);
|
|
// y1 = particle[j].yc - 2.0*MU*sin(particle[j].angle);
|
|
x1 = particle[j].xc;
|
|
// if (CENTER_VIEW_ON_OBSTACLE) x1 -= xshift;
|
|
y1 = particle[j].yc;
|
|
x2 = particle[j].xc + 2.0*MU*cos(particle[j].angle);
|
|
// if (CENTER_VIEW_ON_OBSTACLE) x2 -= xshift;
|
|
y2 = particle[j].yc + 2.0*MU*sin(particle[j].angle);
|
|
draw_line(x1, y1, x2, y2);
|
|
}
|
|
}
|
|
}
|
|
|
|
|
|
void draw_container(double xmin, double xmax, t_obstacle obstacle[NMAXOBSTACLES])
|
|
/* draw the container, for certain boundary conditions */
|
|
{
|
|
int i, j;
|
|
double rgb[3], x, phi, angle, dx, dy, ybin, x1, x2, h;
|
|
char message[100];
|
|
|
|
switch (BOUNDARY_COND) {
|
|
case (BC_SCREEN):
|
|
{
|
|
/* do nothing */
|
|
break;
|
|
}
|
|
case (BC_RECTANGLE):
|
|
{
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
glLineWidth(CONTAINER_WIDTH);
|
|
|
|
draw_line(INITXMIN, INITYMIN, INITXMAX, INITYMIN);
|
|
draw_line(INITXMIN, INITYMAX, INITXMAX, INITYMAX);
|
|
|
|
if (!SYMMETRIC_DECREASE) draw_line(INITXMAX, INITYMIN, INITXMAX, INITYMAX);
|
|
|
|
draw_line(xmin, INITYMIN, xmin, INITYMAX);
|
|
draw_line(XMIN, 0.5*(INITYMIN + INITYMAX), xmin, 0.5*(INITYMIN + INITYMAX));
|
|
|
|
if (SYMMETRIC_DECREASE)
|
|
{
|
|
draw_line(xmax, INITYMIN, xmax, INITYMAX);
|
|
draw_line(XMAX, 0.5*(INITYMIN + INITYMAX), xmax, 0.5*(INITYMIN + INITYMAX));
|
|
}
|
|
|
|
break;
|
|
}
|
|
case (BC_CIRCLE):
|
|
{
|
|
glLineWidth(CONTAINER_WIDTH);
|
|
hsl_to_rgb(300.0, 0.1, 0.5, rgb);
|
|
for (i=-1; i<2; i++)
|
|
{
|
|
if (CENTER_VIEW_ON_OBSTACLE) x = 0.0;
|
|
else x = xmin + (double)i*(OBSXMAX - OBSXMIN);
|
|
|
|
draw_colored_circle(x, 0.0, OBSTACLE_RADIUS, NSEG, rgb);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
draw_circle(x, 0.0, OBSTACLE_RADIUS, NSEG);
|
|
|
|
glColor3f(0.0, 0.0, 0.0);
|
|
sprintf(message, "Mach %.3f", xspeed/20.0);
|
|
// sprintf(message, "Speed %.2f", xspeed);
|
|
write_text(x-0.17, -0.025, message);
|
|
}
|
|
break;
|
|
}
|
|
case (BC_PERIODIC_CIRCLE):
|
|
{
|
|
glLineWidth(CONTAINER_WIDTH);
|
|
hsl_to_rgb(300.0, 0.1, 0.5, rgb);
|
|
for (i=-1; i<2; i++)
|
|
{
|
|
if (CENTER_VIEW_ON_OBSTACLE) x = 0.0;
|
|
else x = xmin + (double)i*(OBSXMAX - OBSXMIN);
|
|
|
|
draw_colored_circle(x, 0.0, OBSTACLE_RADIUS, NSEG, rgb);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
draw_circle(x, 0.0, OBSTACLE_RADIUS, NSEG);
|
|
|
|
glColor3f(0.0, 0.0, 0.0);
|
|
sprintf(message, "Mach %.2f", xspeed/20.0);
|
|
// sprintf(message, "Speed %.2f", xspeed);
|
|
write_text(x-0.17, -0.025, message);
|
|
}
|
|
break;
|
|
}
|
|
case (BC_PERIODIC_TRIANGLE):
|
|
{
|
|
glLineWidth(CONTAINER_WIDTH);
|
|
hsl_to_rgb(300.0, 0.1, 0.5, rgb);
|
|
for (i=-1; i<2; i++)
|
|
{
|
|
if (CENTER_VIEW_ON_OBSTACLE) x = 0.0;
|
|
else x = xmin + (double)i*(OBSXMAX - OBSXMIN);
|
|
|
|
x1 = x + OBSTACLE_RADIUS;
|
|
x2 = x - OBSTACLE_RADIUS;
|
|
h = 2.0*OBSTACLE_RADIUS*tan(APOLY*PID);
|
|
draw_colored_triangle(x1, 0.0, x2, h, x2, -h, rgb);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
draw_triangle(x1, 0.0, x2, h, x2, -h);
|
|
|
|
glColor3f(0.0, 0.0, 0.0);
|
|
sprintf(message, "Mach %.2f", xspeed/20.0);
|
|
write_text(x-0.18, -0.025, message);
|
|
}
|
|
break;
|
|
}
|
|
case (BC_PERIODIC_FUNNEL):
|
|
{
|
|
glLineWidth(CONTAINER_WIDTH);
|
|
hsl_to_rgb(300.0, 0.1, 0.5, rgb);
|
|
for (i=-1; i<2; i++)
|
|
{
|
|
if (CENTER_VIEW_ON_OBSTACLE) x = 0.0;
|
|
else x = xmin + (double)i*(OBSXMAX - OBSXMIN);
|
|
|
|
for (j=-1; j<2; j+=2)
|
|
{
|
|
draw_colored_circle(x, (double)j*(FUNNEL_WIDTH + OBSTACLE_RADIUS), OBSTACLE_RADIUS, NSEG, rgb);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
draw_circle(x, (double)j*(FUNNEL_WIDTH + OBSTACLE_RADIUS), OBSTACLE_RADIUS, NSEG);
|
|
}
|
|
|
|
glColor3f(0.0, 0.0, 0.0);
|
|
sprintf(message, "Mach %.2f", xspeed/20.0);
|
|
write_text(x-0.17, 0.75, message);
|
|
}
|
|
break;
|
|
}
|
|
case (BC_RECTANGLE_LID):
|
|
{
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
glLineWidth(CONTAINER_WIDTH);
|
|
|
|
draw_line(BCXMIN, BCYMIN, BCXMAX, BCYMIN);
|
|
draw_line(BCXMIN, BCYMIN, BCXMIN, BCYMAX);
|
|
draw_line(BCXMAX, BCYMIN, BCXMAX, BCYMAX);
|
|
|
|
hsl_to_rgb(300.0, 0.1, 0.5, rgb);
|
|
draw_colored_rectangle(BCXMIN + 0.05, ylid, BCXMAX - 0.05, ylid + LID_WIDTH, rgb);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
draw_rectangle(BCXMIN + 0.05, ylid, BCXMAX - 0.05, ylid + LID_WIDTH);
|
|
|
|
break;
|
|
}
|
|
case (BC_EHRENFEST):
|
|
{
|
|
glLineWidth(CONTAINER_WIDTH);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
phi = asin(EHRENFEST_WIDTH/EHRENFEST_RADIUS);
|
|
glBegin(GL_LINE_LOOP);
|
|
for (i=0; i<=NSEG; i++)
|
|
{
|
|
angle = -PI + phi + (double)i*2.0*(PI - phi)/(double)NSEG;
|
|
glVertex2d(1.0 + EHRENFEST_RADIUS*cos(angle), EHRENFEST_RADIUS*sin(angle));
|
|
}
|
|
for (i=0; i<=NSEG; i++)
|
|
{
|
|
angle = phi + (double)i*2.0*(PI - phi)/(double)NSEG;
|
|
glVertex2d(-1.0 + EHRENFEST_RADIUS*cos(angle), EHRENFEST_RADIUS*sin(angle));
|
|
}
|
|
glEnd();
|
|
break;
|
|
}
|
|
case (BC_SCREEN_BINS):
|
|
{
|
|
glLineWidth(CONTAINER_WIDTH);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
dy = (YMAX - YMIN)/((double)NGRIDX + 3);
|
|
dx = dy/cos(PI/6.0);
|
|
ybin = 2.75*dy;
|
|
|
|
for (i=-1; i<=NGRIDX; i++)
|
|
{
|
|
x = ((double)i - 0.5*(double)NGRIDX + 0.5)*dx;
|
|
draw_line(x, YMIN, x, YMIN + ybin);
|
|
}
|
|
break;
|
|
}
|
|
|
|
}
|
|
|
|
/* draw fixed obstacles */
|
|
if (ADD_FIXED_OBSTACLES)
|
|
{
|
|
glLineWidth(CONTAINER_WIDTH);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
for (i = 0; i < nobstacles; i++)
|
|
draw_circle(obstacle[i].xc, obstacle[i].yc, obstacle[i].radius, NSEG);
|
|
}
|
|
}
|
|
|
|
void print_parameters(double beta, double temperature, double krepel, double lengthcontainer, double boundary_force,
|
|
short int left, double pressure[N_PRESSURES])
|
|
{
|
|
char message[100];
|
|
int i, j, k;
|
|
double density, hue, rgb[3], logratio, x, y, meanpress[N_PRESSURES], phi, sphi, dphi, pprint, mean_temp;
|
|
static double xbox, xtext, xmid, xmidtext, xxbox, xxtext, pressures[N_P_AVERAGE], meanpressure = 0.0, maxpressure = 0.0;
|
|
static double press[N_PRESSURES][N_P_AVERAGE], temp[N_T_AVERAGE];
|
|
static int first = 1, i_pressure, i_temp;
|
|
|
|
if (first)
|
|
{
|
|
if (left)
|
|
{
|
|
xbox = XMIN + 0.4;
|
|
xtext = XMIN + 0.08;
|
|
xxbox = XMAX - 0.39;
|
|
xxtext = XMAX - 0.73;
|
|
}
|
|
else
|
|
{
|
|
xbox = XMAX - 0.41;
|
|
xtext = XMAX - 0.73;
|
|
xxbox = XMIN + 0.4;
|
|
xxtext = XMIN + 0.08;
|
|
}
|
|
xmid = 0.5*(XMIN + XMAX) - 0.1;
|
|
xmidtext = xmid - 0.24;
|
|
for (i=0; i<N_P_AVERAGE; i++) pressures[i] = 0.0;
|
|
if (RECORD_PRESSURES) for (j=0; j<N_PRESSURES; j++)
|
|
{
|
|
meanpress[j] = 0.0;
|
|
for (i=0; i<N_P_AVERAGE; i++) press[j][i] = 0.0;
|
|
}
|
|
i_pressure = 0;
|
|
i_temp = 0;
|
|
for (i=0; i<N_T_AVERAGE; i++) temp[i] = 0.0;
|
|
|
|
first = 0;
|
|
}
|
|
|
|
/* table of pressures */
|
|
pressures[i_pressure] = boundary_force/(lengthcontainer + INITYMAX - INITYMIN);
|
|
if (RECORD_PRESSURES)
|
|
{
|
|
for (j=0; j<N_PRESSURES; j++) press[j][i_pressure] = pressure[j];
|
|
}
|
|
i_pressure++;
|
|
if (i_pressure == N_P_AVERAGE) i_pressure = 0;
|
|
|
|
for (i=0; i<N_P_AVERAGE; i++) meanpressure += pressures[i];
|
|
meanpressure = meanpressure/(double)N_P_AVERAGE;
|
|
|
|
if (RECORD_PRESSURES) for (j=0; j<N_PRESSURES; j++)
|
|
{
|
|
meanpress[j] = 0.0;
|
|
for (i=0; i<N_P_AVERAGE; i++) meanpress[j] += press[j][i];
|
|
meanpress[j] = meanpress[j]/(double)N_P_AVERAGE;
|
|
}
|
|
|
|
|
|
// if (RECORD_PRESSURES)
|
|
// for (j=0; j<N_PRESSURES; j++) meanpress[j] =
|
|
//
|
|
// for (j=0; j<N_PRESSURES; j++) printf("Mean pressure[%i] = %.5lg\n", j, meanpress[j]);
|
|
|
|
if (RECORD_PRESSURES)
|
|
{
|
|
for (j=0; j<N_PRESSURES; j++) if (meanpress[j] > maxpressure) maxpressure = meanpress[j];
|
|
printf("Max pressure = %.5lg\n\n", maxpressure);
|
|
}
|
|
|
|
y = YMAX - 0.1;
|
|
if (INCREASE_BETA) /* print temperature */
|
|
{
|
|
logratio = log(beta/BETA)/log(0.5*BETA_FACTOR);
|
|
if (logratio > 1.0) logratio = 1.0;
|
|
if (BETA_FACTOR > 1.0) hue = PARTICLE_HUE_MAX - (PARTICLE_HUE_MAX - PARTICLE_HUE_MIN)*logratio;
|
|
else hue = PARTICLE_HUE_MIN - (PARTICLE_HUE_MIN - PARTICLE_HUE_MAX)*logratio;
|
|
erase_area_hsl_turbo(xbox, y + 0.025, 0.37, 0.05, hue, 0.9, 0.5);
|
|
// erase_area_hsl_turbo(xmid + 0.1, y + 0.025, 0.4, 0.05, hue, 0.9, 0.5);
|
|
if ((hue < 90)||(hue > 270)) glColor3f(1.0, 1.0, 1.0);
|
|
else glColor3f(0.0, 0.0, 0.0);
|
|
sprintf(message, "Temperature %.2f", 1.0/beta);
|
|
write_text(xtext, y, message);
|
|
// write_text(xmidtext, y, message);
|
|
// y -= 0.1;
|
|
|
|
// erase_area_hsl(xxbox, y + 0.025, 0.37, 0.05, 0.0, 0.9, 0.0);
|
|
// glColor3f(1.0, 1.0, 1.0);
|
|
// sprintf(message, "Pressure %.3f", meanpressure);
|
|
// write_text(xxtext, y, message);
|
|
}
|
|
if (DECREASE_CONTAINER_SIZE) /* print density */
|
|
{
|
|
density = (double)ncircles/((lengthcontainer)*(INITYMAX - INITYMIN));
|
|
erase_area_hsl(xbox, y + 0.025, 0.37, 0.05, 0.0, 0.9, 0.0);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
sprintf(message, "Density %.3f", density);
|
|
write_text(xtext, y, message);
|
|
|
|
erase_area_hsl(xmid, y + 0.025, 0.37, 0.05, 0.0, 0.9, 0.0);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
sprintf(message, "Temperature %.2f", temperature);
|
|
write_text(xmidtext, y, message);
|
|
|
|
erase_area_hsl(xxbox, y + 0.025, 0.37, 0.05, 0.0, 0.9, 0.0);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
sprintf(message, "Pressure %.3f", meanpressure);
|
|
write_text(xxtext, y, message);
|
|
|
|
}
|
|
else if (INCREASE_KREPEL) /* print force constant */
|
|
{
|
|
erase_area_hsl(xbox, y + 0.025, 0.22, 0.05, 0.0, 0.9, 0.0);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
sprintf(message, "Force %.0f", krepel);
|
|
write_text(xtext + 0.28, y, message);
|
|
}
|
|
|
|
if (RECORD_PRESSURES)
|
|
{
|
|
y = FUNNEL_WIDTH + OBSTACLE_RADIUS;
|
|
for (i=0; i<N_PRESSURES; i++)
|
|
{
|
|
phi = DPI*(double)i/(double)N_PRESSURES;
|
|
hue = PARTICLE_HUE_MIN + (PARTICLE_HUE_MAX - PARTICLE_HUE_MIN)*meanpress[i]/MAX_PRESSURE;
|
|
if (hue > PARTICLE_HUE_MIN) hue = PARTICLE_HUE_MIN;
|
|
if (hue < PARTICLE_HUE_MAX) hue = PARTICLE_HUE_MAX;
|
|
hsl_to_rgb_turbo(hue, 0.9, 0.5, rgb);
|
|
|
|
dphi = DPI/(double)N_PRESSURES;
|
|
// x = 0.95*OBSTACLE_RADIUS*cos(phi);
|
|
sphi = sin(phi);
|
|
if (sphi < 0.0) draw_colored_sector(0.0, y, 0.95*OBSTACLE_RADIUS, OBSTACLE_RADIUS, phi, phi + dphi, rgb, 10);
|
|
else draw_colored_sector(0.0, -y, 0.95*OBSTACLE_RADIUS, OBSTACLE_RADIUS, phi, phi + dphi, rgb, 10);
|
|
}
|
|
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
for (i=-1; i<2; i++)
|
|
{
|
|
k = N_PRESSURES/4 + i*N_PRESSURES/9;
|
|
phi = DPI*(double)k/(double)N_PRESSURES;
|
|
pprint = 0.0;
|
|
for (j=-2; j<3; j++) pprint += meanpress[k + j];
|
|
sprintf(message, "p = %.0f", pprint*200.0/MAX_PRESSURE);
|
|
write_text(0.85*OBSTACLE_RADIUS*cos(phi) - 0.1, -y + 0.85*OBSTACLE_RADIUS*sin(phi), message);
|
|
}
|
|
}
|
|
|
|
if (PARTIAL_THERMO_COUPLING)
|
|
{
|
|
printf("Temperature %i in average: %.3lg\n", i_temp, temperature);
|
|
temp[i_temp] = temperature;
|
|
i_temp++;
|
|
if (i_temp >= N_T_AVERAGE) i_temp = 0;
|
|
|
|
mean_temp = 0.0;
|
|
for (i=0; i<N_T_AVERAGE; i++) mean_temp += temp[i];
|
|
mean_temp = mean_temp/N_T_AVERAGE;
|
|
|
|
hue = PARTICLE_HUE_MIN + 0.5*(PARTICLE_HUE_MAX - PARTICLE_HUE_MIN)*mean_temp/PARTICLE_EMAX;
|
|
if (hue < PARTICLE_HUE_MAX) hue = PARTICLE_HUE_MAX;
|
|
erase_area_hsl_turbo(xbox, y + 0.025, 0.37, 0.05, hue, 0.9, 0.5);
|
|
if ((hue < 90)||(hue > 270)) glColor3f(1.0, 1.0, 1.0);
|
|
else glColor3f(0.0, 0.0, 0.0);
|
|
sprintf(message, "Temperature %.2f", mean_temp);
|
|
write_text(xtext, y, message);
|
|
|
|
}
|
|
}
|
|
|
|
|
|
void print_ehrenfest_parameters(t_particle particle[NMAXCIRCLES], double pleft, double pright)
|
|
{
|
|
char message[100];
|
|
int i, j, nleft1 = 0, nleft2 = 0, nright1 = 0, nright2 = 0;
|
|
double density, hue, rgb[3], logratio, y, shiftx = 0.3;
|
|
static double xleftbox, xlefttext, xmidbox, xmidtext, xrightbox, xrighttext, pressures[500][2], meanpressure[2];
|
|
static int first = 1, i_pressure, naverage = 500;
|
|
|
|
if (first)
|
|
{
|
|
xleftbox = -1.0;
|
|
xlefttext = xleftbox - 0.5;
|
|
xrightbox = 1.0;
|
|
xrighttext = xrightbox - 0.45;
|
|
// xmid = 0.5*(XMIN + XMAX) - 0.1;
|
|
// xmidtext = xmid - 0.24;
|
|
|
|
meanpressure[0] = 0.0;
|
|
meanpressure[1] = 0.0;
|
|
for (i=0; i<naverage; i++)
|
|
{
|
|
pressures[i][0] = 0.0;
|
|
pressures[i][1] = 0.0;
|
|
}
|
|
i_pressure = 0;
|
|
first = 0;
|
|
}
|
|
|
|
/* table of pressures */
|
|
pressures[i_pressure][0] = pleft;
|
|
pressures[i_pressure][1] = pright;
|
|
i_pressure++;
|
|
if (i_pressure == naverage) i_pressure = 0;
|
|
|
|
for (i=0; i<naverage; i++)
|
|
for (j=0; j<2; j++)
|
|
meanpressure[j] += pressures[i][j];
|
|
for (j=0; j<2; j++) meanpressure[j] = meanpressure[j]/(double)naverage;
|
|
|
|
for (i = 0; i < ncircles; i++) if (particle[i].active)
|
|
{
|
|
if (particle[i].xc < -1.0 + EHRENFEST_RADIUS)
|
|
{
|
|
if (particle[i].type == 0) nleft1++;
|
|
else nleft2++;
|
|
}
|
|
else if (particle[i].xc > 1.0 - EHRENFEST_RADIUS)
|
|
{
|
|
if (particle[i].type == 0) nright1++;
|
|
else nright2++;
|
|
}
|
|
}
|
|
|
|
y = YMIN + 0.1;
|
|
|
|
erase_area_hsl(xleftbox - shiftx, y + 0.025, 0.22, 0.05, 0.0, 0.9, 0.0);
|
|
hsl_to_rgb(310.0, 0.9, 0.5, rgb);
|
|
glColor3f(rgb[0], rgb[1], rgb[2]);
|
|
sprintf(message, "%i particles", nleft1);
|
|
write_text(xlefttext + 0.28 - shiftx, y, message);
|
|
|
|
erase_area_hsl(xleftbox + shiftx, y + 0.025, 0.22, 0.05, 0.0, 0.9, 0.0);
|
|
hsl_to_rgb(70.0, 0.9, 0.5, rgb);
|
|
glColor3f(rgb[0], rgb[1], rgb[2]);
|
|
sprintf(message, "%i particles", nleft2);
|
|
write_text(xlefttext + 0.28 + shiftx, y, message);
|
|
|
|
erase_area_hsl(xrightbox - shiftx, y + 0.025, 0.22, 0.05, 0.0, 0.9, 0.0);
|
|
hsl_to_rgb(310.0, 0.9, 0.5, rgb);
|
|
glColor3f(rgb[0], rgb[1], rgb[2]);
|
|
sprintf(message, "%i particles", nright1);
|
|
write_text(xrighttext + 0.28 - shiftx, y, message);
|
|
|
|
erase_area_hsl(xrightbox + shiftx, y + 0.025, 0.22, 0.05, 0.0, 0.9, 0.0);
|
|
hsl_to_rgb(70.0, 0.9, 0.5, rgb);
|
|
glColor3f(rgb[0], rgb[1], rgb[2]);
|
|
sprintf(message, "%i particles", nright2);
|
|
write_text(xrighttext + 0.28 + shiftx, y, message);
|
|
y = YMAX - 0.1;
|
|
|
|
erase_area_hsl(xleftbox - 0.1, y + 0.025, 0.22, 0.05, 0.0, 0.9, 0.0);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
sprintf(message, "Pressure %.2f", 0.001*meanpressure[0]/(double)ncircles);
|
|
write_text(xlefttext + 0.25, y, message);
|
|
|
|
erase_area_hsl(xrightbox - 0.1, y + 0.025, 0.22, 0.05, 0.0, 0.9, 0.0);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
sprintf(message, "Pressure %.2f", 0.001*meanpressure[1]/(double)ncircles);
|
|
write_text(xrighttext + 0.2, y, message);
|
|
|
|
}
|
|
|
|
void print_particle_number(int npart)
|
|
{
|
|
char message[100];
|
|
double y = YMAX - 0.1;
|
|
static double xleftbox, xlefttext;
|
|
static int first = 1;
|
|
|
|
if (first)
|
|
{
|
|
xleftbox = XMIN + 0.5;
|
|
xlefttext = xleftbox - 0.5;
|
|
first = 0;
|
|
}
|
|
|
|
erase_area_hsl(xleftbox, y + 0.025, 0.22, 0.05, 0.0, 0.9, 0.0);
|
|
glColor3f(1.0, 1.0, 1.0);
|
|
if (npart > 1) sprintf(message, "%i particles", npart);
|
|
else sprintf(message, "%i particle", npart);
|
|
write_text(xlefttext + 0.28, y, message);
|
|
}
|
|
|
|
void print_entropy(double entropy[2])
|
|
{
|
|
char message[100];
|
|
double y = YMAX - 0.1, rgb[3];
|
|
static double xleftbox, xlefttext, xrightbox, xrighttext;
|
|
static int first = 1;
|
|
|
|
if (first)
|
|
{
|
|
xleftbox = XMIN + 0.5;
|
|
xlefttext = xleftbox - 0.55;
|
|
xrightbox = XMAX - 0.39;
|
|
xrighttext = xrightbox - 0.55;
|
|
first = 0;
|
|
}
|
|
|
|
erase_area_hsl(xleftbox, y + 0.025, 0.35, 0.05, 0.0, 0.9, 0.0);
|
|
hsl_to_rgb_turbo(HUE_TYPE1, 0.9, 0.5, rgb);
|
|
glColor3f(rgb[0], rgb[1], rgb[2]);
|
|
sprintf(message, "Entropy = %.4f", entropy[1]);
|
|
write_text(xlefttext + 0.28, y, message);
|
|
|
|
erase_area_hsl(xrightbox, y + 0.025, 0.35, 0.05, 0.0, 0.9, 0.0);
|
|
hsl_to_rgb_turbo(HUE_TYPE0, 0.9, 0.5, rgb);
|
|
glColor3f(rgb[0], rgb[1], rgb[2]);
|
|
sprintf(message, "Entropy = %.4f", entropy[0]);
|
|
write_text(xrighttext + 0.28, y, message);
|
|
|
|
}
|
|
|
|
|
|
double compute_boundary_force(int j, t_particle particle[NMAXCIRCLES], t_obstacle obstacle[NMAXOBSTACLES],
|
|
double xleft, double xright, double *pleft, double *pright, double pressure[N_PRESSURES])
|
|
{
|
|
int i, k;
|
|
double xmin, xmax, ymin, ymax, padding, r, rp, r2, cphi, sphi,
|
|
f, fperp = 0.0, x, y, xtube, distance, dx, dy, width, ybin, angle, x1, x2, h, ytop, norm, dleft, dplus, dminus;
|
|
|
|
/* compute force from fixed obstacles */
|
|
if (ADD_FIXED_OBSTACLES) for (i=0; i<nobstacles; i++)
|
|
{
|
|
x = particle[j].xc - obstacle[i].xc;
|
|
y = particle[j].yc - obstacle[i].yc;
|
|
distance = module2(x, y);
|
|
if (distance < 1.0e-7) distance = 1.0e-7;
|
|
cphi = x/distance;
|
|
sphi = y/distance;
|
|
r2 = obstacle[i].radius + particle[j].radius;
|
|
|
|
if (distance < r2)
|
|
{
|
|
f = KSPRING_OBSTACLE*(r2 - distance);
|
|
particle[j].fx += f*cphi;
|
|
particle[j].fy += f*sphi;
|
|
}
|
|
}
|
|
|
|
switch(BOUNDARY_COND){
|
|
case (BC_SCREEN):
|
|
{
|
|
/* add harmonic force outside screen */
|
|
if (particle[j].xc > BCXMAX) particle[j].fx -= KSPRING_BOUNDARY*(particle[j].xc - BCXMAX);
|
|
else if (particle[j].xc < BCXMIN) particle[j].fx += KSPRING_BOUNDARY*(BCXMIN - particle[j].xc);
|
|
if (particle[j].yc > BCYMAX) particle[j].fy -= KSPRING_BOUNDARY*(particle[j].yc - BCYMAX);
|
|
else if (particle[j].yc < BCYMIN) particle[j].fy += KSPRING_BOUNDARY*(BCYMIN - particle[j].yc);
|
|
return(fperp);
|
|
}
|
|
case (BC_RECTANGLE):
|
|
{
|
|
/* add harmonic force outside rectangular box */
|
|
padding = MU + 0.01;
|
|
xmin = xleft + padding;
|
|
xmax = xright - padding;
|
|
ymin = BCYMIN + padding;
|
|
ymax = BCYMAX - padding;
|
|
|
|
if (particle[j].xc > xmax)
|
|
{
|
|
fperp = KSPRING_BOUNDARY*(particle[j].xc - xmax);
|
|
particle[j].fx -= fperp;
|
|
}
|
|
else if (particle[j].xc < xmin)
|
|
{
|
|
fperp = KSPRING_BOUNDARY*(xmin - particle[j].xc);
|
|
particle[j].fx += fperp;
|
|
}
|
|
if (particle[j].yc > ymax)
|
|
{
|
|
fperp = KSPRING_BOUNDARY*(particle[j].yc - ymax);
|
|
particle[j].fy -= fperp;
|
|
}
|
|
else if (particle[j].yc < ymin)
|
|
{
|
|
fperp = KSPRING_BOUNDARY*(ymin - particle[j].yc);
|
|
particle[j].fy += fperp;
|
|
}
|
|
// if (particle[j].xc > xmax) particle[j].fx -= KSPRING_BOUNDARY*(particle[j].xc - xmax);
|
|
// else if (particle[j].xc < xmin) particle[j].fx += KSPRING_BOUNDARY*(xmin - particle[j].xc);
|
|
// if (particle[j].yc > ymax) particle[j].fy -= KSPRING_BOUNDARY*(particle[j].yc - ymax);
|
|
// else if (particle[j].yc < ymin) particle[j].fy += KSPRING_BOUNDARY*(ymin - particle[j].yc);
|
|
|
|
return(fperp);
|
|
}
|
|
case (BC_CIRCLE):
|
|
{
|
|
/* add harmonic force outside screen */
|
|
if (particle[j].xc > BCXMAX) particle[j].fx -= KSPRING_BOUNDARY*(particle[j].xc - BCXMAX);
|
|
else if (particle[j].xc < BCXMIN) particle[j].fx += KSPRING_BOUNDARY*(BCXMIN - particle[j].xc);
|
|
if (particle[j].yc > BCYMAX) particle[j].fy -= KSPRING_BOUNDARY*(particle[j].yc - BCYMAX);
|
|
else if (particle[j].yc < BCYMIN) particle[j].fy += KSPRING_BOUNDARY*(BCYMIN - particle[j].yc);
|
|
|
|
/* add harmonic force from obstacle */
|
|
for (i=-2; i<2; i++)
|
|
{
|
|
x = xleft + (double)i*(OBSXMAX - OBSXMIN);
|
|
if (vabs(particle[j].xc - x) < 1.1*OBSTACLE_RADIUS)
|
|
{
|
|
r = module2(particle[j].xc - x, particle[j].yc);
|
|
if (r < 1.0e-5) r = 1.0e-05;
|
|
cphi = (particle[j].xc - x)/r;
|
|
sphi = particle[j].yc/r;
|
|
padding = MU + 0.03;
|
|
if (r < OBSTACLE_RADIUS + padding)
|
|
{
|
|
f = KSPRING_OBSTACLE*(OBSTACLE_RADIUS + padding - r);
|
|
particle[j].fx += f*cphi;
|
|
particle[j].fy += f*sphi;
|
|
}
|
|
}
|
|
}
|
|
return(fperp);
|
|
}
|
|
case (BC_PERIODIC_CIRCLE):
|
|
{
|
|
x = xleft;
|
|
if (vabs(particle[j].xc - x) < 1.1*OBSTACLE_RADIUS)
|
|
{
|
|
r = module2(particle[j].xc - x, particle[j].yc);
|
|
if (r < 1.0e-5) r = 1.0e-05;
|
|
cphi = (particle[j].xc - x)/r;
|
|
sphi = particle[j].yc/r;
|
|
padding = MU + 0.03;
|
|
if (r < OBSTACLE_RADIUS + padding)
|
|
{
|
|
f = KSPRING_OBSTACLE*(OBSTACLE_RADIUS + padding - r);
|
|
particle[j].fx += f*cphi;
|
|
particle[j].fy += f*sphi;
|
|
}
|
|
}
|
|
return(f);
|
|
}
|
|
case (BC_PERIODIC_TRIANGLE):
|
|
{
|
|
x = xleft;
|
|
x1 = x + OBSTACLE_RADIUS;
|
|
x2 = x - OBSTACLE_RADIUS;
|
|
h = 2.0*OBSTACLE_RADIUS*tanh(APOLY*PID);
|
|
padding = MU + 0.03;
|
|
// ytop = 0.5*h*(1.0 - (particle[j].xc - x)/OBSTACLE_RADIUS);
|
|
if ((vabs(particle[j].xc - x) < OBSTACLE_RADIUS + padding)&&(vabs(particle[j].yc < h + padding)))
|
|
{
|
|
/* signed distances to side of triangle */
|
|
dleft = x2 - particle[j].xc;
|
|
norm = module2(h, 2.0*OBSTACLE_RADIUS);
|
|
|
|
if (particle[j].yc >= 0.0)
|
|
{
|
|
dplus = (h*particle[j].xc + 2.0*OBSTACLE_RADIUS*particle[j].yc - h*(x+OBSTACLE_RADIUS))/norm;
|
|
if ((dleft < padding)&&(dleft > dplus)) /* left side is closer */
|
|
{
|
|
f = KSPRING_OBSTACLE*(padding - dleft);
|
|
particle[j].fx -= f;
|
|
}
|
|
else if (dplus < padding) /* top side is closer */
|
|
{
|
|
f = KSPRING_OBSTACLE*(padding - dplus);
|
|
particle[j].fx += f*h/norm;
|
|
particle[j].fy += 2.0*f*OBSTACLE_RADIUS/norm;
|
|
}
|
|
}
|
|
else
|
|
{
|
|
dminus = (h*particle[j].xc - 2.0*OBSTACLE_RADIUS*particle[j].yc - h*(x+OBSTACLE_RADIUS))/norm;
|
|
if ((dleft < padding)&&(dleft > dminus)) /* left side is closer */
|
|
{
|
|
f = KSPRING_OBSTACLE*(padding - dleft);
|
|
particle[j].fx -= f;
|
|
}
|
|
else if (dminus < padding) /* bottom side is closer */
|
|
{
|
|
f = KSPRING_OBSTACLE*(padding - dminus);
|
|
particle[j].fx += f*h/norm;
|
|
particle[j].fy += -2.0*f*OBSTACLE_RADIUS/norm;
|
|
}
|
|
}
|
|
/* force from tip of triangle */
|
|
r = module2(particle[j].xc - x1, particle[j].yc);
|
|
if (r < padding)
|
|
{
|
|
if (r < 1.0e-5) r = 1.0e-05;
|
|
cphi = (particle[j].xc - x1)/r;
|
|
sphi = particle[j].yc/r;
|
|
f = KSPRING_OBSTACLE*(padding - r);
|
|
particle[j].fx += f*cphi;
|
|
particle[j].fy += f*sphi;
|
|
}
|
|
}
|
|
return(f);
|
|
}
|
|
case (BC_PERIODIC_FUNNEL):
|
|
{
|
|
x = xleft;
|
|
padding = MU + 0.02;
|
|
if (vabs(particle[j].yc) > FUNNEL_WIDTH - padding) for (i=-1; i<2; i+=2)
|
|
{
|
|
r = module2(particle[j].xc - x, particle[j].yc - (double)i*(FUNNEL_WIDTH + OBSTACLE_RADIUS));
|
|
if (r < 1.0e-5) r = 1.0e-05;
|
|
cphi = (particle[j].xc - x)/r;
|
|
sphi = (particle[j].yc - (double)i*(FUNNEL_WIDTH + OBSTACLE_RADIUS))/r;
|
|
if (r < OBSTACLE_RADIUS + padding)
|
|
{
|
|
f = KSPRING_OBSTACLE*(OBSTACLE_RADIUS + padding - r);
|
|
particle[j].fx += f*cphi;
|
|
particle[j].fy += f*sphi;
|
|
if (RECORD_PRESSURES)
|
|
{
|
|
angle = argument(cphi, sphi);
|
|
if (angle < 0.0) angle += DPI;
|
|
k = (int)((double)N_PRESSURES*angle/DPI);
|
|
if (k >= N_PRESSURES) k = N_PRESSURES - 1;
|
|
pressure[k] += f;
|
|
}
|
|
}
|
|
}
|
|
return(f);
|
|
}
|
|
case (BC_RECTANGLE_LID):
|
|
{
|
|
r = particle[j].radius;
|
|
|
|
if (particle[j].yc < BCYMIN + r) particle[j].fy += KSPRING_BOUNDARY*(BCYMIN + r - particle[j].yc);
|
|
else if (particle[j].yc > ylid - r)
|
|
{
|
|
fperp = KSPRING_BOUNDARY*(particle[j].yc - ylid + r);
|
|
particle[j].fy -= fperp;
|
|
}
|
|
if (particle[j].yc < BCYMAX + r)
|
|
{
|
|
if (particle[j].xc > BCXMAX - r) particle[j].fx -= KSPRING_BOUNDARY*(particle[j].xc - BCXMAX + r);
|
|
else if (particle[j].xc < BCXMIN + r) particle[j].fx += KSPRING_BOUNDARY*(BCXMIN + r - particle[j].xc);
|
|
}
|
|
return(fperp);
|
|
}
|
|
case (BC_EHRENFEST):
|
|
{
|
|
rp = particle[j].radius;
|
|
xtube = 1.0 - sqrt(EHRENFEST_RADIUS*EHRENFEST_RADIUS - EHRENFEST_WIDTH*EHRENFEST_WIDTH);
|
|
distance = 0.0;
|
|
/* middle tube */
|
|
if (vabs(particle[j].xc) <= xtube)
|
|
{
|
|
if (particle[j].yc > EHRENFEST_WIDTH - rp)
|
|
{
|
|
distance = particle[j].yc - EHRENFEST_WIDTH;
|
|
particle[j].fy -= KSPRING_BOUNDARY*(distance + rp);
|
|
}
|
|
else if (particle[j].yc < -EHRENFEST_WIDTH + rp)
|
|
{
|
|
distance = - EHRENFEST_WIDTH - particle[j].yc;
|
|
particle[j].fy += KSPRING_BOUNDARY*(distance + rp);
|
|
}
|
|
}
|
|
/* right container */
|
|
else if (particle[j].xc > 0.0)
|
|
{
|
|
r = module2(particle[j].xc - 1.0, particle[j].yc);
|
|
if ((r > EHRENFEST_RADIUS - rp)&&((particle[j].xc > 1.0)||(vabs(particle[j].yc) > EHRENFEST_WIDTH)))
|
|
{
|
|
cphi = (particle[j].xc - 1.0)/r;
|
|
sphi = particle[j].yc/r;
|
|
f = KSPRING_BOUNDARY*(EHRENFEST_RADIUS - r - rp);
|
|
particle[j].fx += f*cphi;
|
|
particle[j].fy += f*sphi;
|
|
*pright -= f;
|
|
}
|
|
}
|
|
/* left container */
|
|
else
|
|
{
|
|
r = module2(particle[j].xc + 1.0, particle[j].yc);
|
|
if ((r > EHRENFEST_RADIUS - rp)&&((particle[j].xc < -1.0)||(vabs(particle[j].yc) > EHRENFEST_WIDTH)))
|
|
{
|
|
cphi = (particle[j].xc + 1.0)/r;
|
|
sphi = particle[j].yc/r;
|
|
f = KSPRING_BOUNDARY*(EHRENFEST_RADIUS - r - rp);
|
|
particle[j].fx += f*cphi;
|
|
particle[j].fy += f*sphi;
|
|
*pleft -= f;
|
|
}
|
|
}
|
|
|
|
/* add force from "corners" */
|
|
if ((vabs(particle[j].xc) - xtube < rp)&&(vabs(particle[j].yc) - EHRENFEST_WIDTH < rp))
|
|
{
|
|
for (i=-1; i<=1; i+=2)
|
|
for (k=-1; k<=1; k+=2)
|
|
{
|
|
distance = module2(particle[j].xc - (double)i*xtube, particle[j].yc - (double)k*EHRENFEST_WIDTH);
|
|
if (distance < rp)
|
|
{
|
|
cphi = (particle[j].xc - (double)i*xtube)/distance;
|
|
sphi = (particle[j].yc - (double)k*EHRENFEST_WIDTH)/distance;
|
|
f = KSPRING_BOUNDARY*(rp - distance);
|
|
particle[j].fx += f*cphi;
|
|
particle[j].fy += f*sphi;
|
|
}
|
|
}
|
|
}
|
|
return(fperp);
|
|
}
|
|
case (BC_SCREEN_BINS):
|
|
{
|
|
/* add harmonic force outside screen */
|
|
if (particle[j].xc > XMAX) particle[j].fx -= KSPRING_BOUNDARY*(particle[j].xc - XMAX);
|
|
else if (particle[j].xc < XMIN) particle[j].fx += KSPRING_BOUNDARY*(XMIN - particle[j].xc);
|
|
if (particle[j].yc > YMAX + 10.0*MU) particle[j].fy -= KSPRING_BOUNDARY*(particle[j].yc - YMAX - 10.0*MU);
|
|
else if (particle[j].yc < YMIN) particle[j].fy += KSPRING_BOUNDARY*(YMIN - particle[j].yc);
|
|
|
|
/* force from the bins */
|
|
dy = (YMAX - YMIN)/((double)NGRIDX + 3);
|
|
dx = dy/cos(PI/6.0);
|
|
rp = particle[j].radius;
|
|
width = rp + 0.05*dx;
|
|
ybin = 2.75*dy;
|
|
|
|
if (particle[j].yc < YMIN + ybin) for (i=-1; i<=NGRIDX; i++)
|
|
{
|
|
x = ((double)i - 0.5*(double)NGRIDX + 0.5)*dx;
|
|
distance = vabs(particle[j].xc - x);
|
|
if (distance < width)
|
|
{
|
|
if (particle[j].xc > x) particle[j].fx += KSPRING_BOUNDARY*(width - distance);
|
|
else particle[j].fx -= KSPRING_BOUNDARY*(width - distance);
|
|
}
|
|
}
|
|
else if (particle[j].yc < YMIN + ybin + particle[j].radius) for (i=-1; i<=NGRIDX; i++)
|
|
{
|
|
x = ((double)i - 0.5*(double)NGRIDX + 0.5)*dx;
|
|
distance = module2(particle[j].xc - x, particle[j].yc - YMIN - ybin);
|
|
if (distance < rp)
|
|
{
|
|
if (distance < 1.0e-8) distance = 1.0e-8;
|
|
cphi = (particle[j].xc - x)/distance;
|
|
sphi = (particle[j].yc - YMIN - ybin)/distance;
|
|
f = KSPRING_BOUNDARY*(rp - distance);
|
|
particle[j].fx += f*cphi;
|
|
particle[j].fy += f*sphi;
|
|
}
|
|
}
|
|
return(fperp);
|
|
}
|
|
}
|
|
}
|
|
|
|
|
|
void compute_particle_force(int j, double krepel, t_particle particle[NMAXCIRCLES], t_hashgrid hashgrid[HASHX*HASHY])
|
|
/* compute force from other particles on particle j */
|
|
{
|
|
int i0, j0, m0, k, m, q, close;
|
|
double fx = 0.0, fy = 0.0, force[2], torque = 0.0, torque_ij, x, y;
|
|
|
|
particle[j].neighb = 0;
|
|
|
|
for (k=0; k<particle[j].hash_nneighb; k++)
|
|
{
|
|
close = compute_repelling_force(j, k, force, &torque_ij, particle, krepel);
|
|
fx += force[0];
|
|
fy += force[1];
|
|
torque += torque_ij;
|
|
if (close) particle[j].neighb++;
|
|
}
|
|
|
|
particle[j].fx += fx;
|
|
particle[j].fy += fy;
|
|
particle[j].torque += torque;
|
|
}
|
|
|
|
|
|
int initialize_configuration(t_particle particle[NMAXCIRCLES], t_hashgrid hashgrid[HASHX*HASHY],
|
|
t_obstacle obstacle[NMAXOBSTACLES], double px[NMAXCIRCLES], double py[NMAXCIRCLES], double pangle[NMAXCIRCLES])
|
|
/* initialize all particles, obstacles, and the hashgrid */
|
|
{
|
|
int i, j, k, n, tracer_n, nactive = 0;
|
|
double x, y, h;
|
|
|
|
for (i=0; i < ncircles; i++)
|
|
{
|
|
/* set particle type */
|
|
particle[i].type = 0;
|
|
if ((TWO_TYPES)&&((double)rand()/RAND_MAX > TPYE_PROPORTION))
|
|
{
|
|
particle[i].type = 1;
|
|
particle[i].radius = MU_B;
|
|
}
|
|
|
|
particle[i].neighb = 0;
|
|
particle[i].thermostat = 1;
|
|
|
|
// particle[i].energy = 0.0;
|
|
// y = particle[i].yc;
|
|
// if (y >= YMAX) y -= particle[i].radius;
|
|
// if (y <= YMIN) y += particle[i].radius;
|
|
|
|
if (RANDOM_RADIUS) particle[i].radius = particle[i].radius*(0.75 + 0.5*((double)rand()/RAND_MAX));
|
|
|
|
if (particle[i].type == 0)
|
|
{
|
|
particle[i].interaction = INTERACTION;
|
|
particle[i].eq_dist = EQUILIBRIUM_DIST;
|
|
particle[i].spin_range = SPIN_RANGE;
|
|
particle[i].spin_freq = SPIN_INTER_FREQUENCY;
|
|
particle[i].mass_inv = 1.0/PARTICLE_MASS;
|
|
particle[i].inertia_moment_inv = 1.0/PARTICLE_INERTIA_MOMENT;
|
|
}
|
|
else
|
|
{
|
|
particle[i].interaction = INTERACTION_B;
|
|
particle[i].eq_dist = EQUILIBRIUM_DIST_B;
|
|
particle[i].spin_range = SPIN_RANGE_B;
|
|
particle[i].spin_freq = SPIN_INTER_FREQUENCY_B;
|
|
particle[i].mass_inv = 1.0/PARTICLE_MASS_B;
|
|
particle[i].inertia_moment_inv = 1.0/PARTICLE_INERTIA_MOMENT_B;
|
|
}
|
|
|
|
particle[i].vx = V_INITIAL*gaussian();
|
|
particle[i].vy = V_INITIAL*gaussian();
|
|
particle[i].energy = (particle[i].vx*particle[i].vx + particle[i].vy*particle[i].vy)*particle[i].mass_inv;
|
|
|
|
px[i] = particle[i].vx;
|
|
py[i] = particle[i].vy;
|
|
|
|
if (ROTATION)
|
|
{
|
|
particle[i].angle = DPI*(double)rand()/RAND_MAX;
|
|
particle[i].omega = OMEGA_INITIAL*gaussian();
|
|
if (COUPLE_ANGLE_TO_THERMOSTAT)
|
|
particle[i].energy += particle[i].omega*particle[i].omega*particle[i].inertia_moment_inv;
|
|
}
|
|
else
|
|
{
|
|
particle[i].angle = 0.0;
|
|
particle[i].omega = 0.0;
|
|
}
|
|
pangle[i] = particle[i].omega;
|
|
}
|
|
/* initialize dummy values in case particles are added */
|
|
for (i=ncircles; i < NMAXCIRCLES; i++)
|
|
{
|
|
particle[i].type = 0;
|
|
particle[i].active = 0;
|
|
particle[i].neighb = 0;
|
|
particle[i].thermostat = 0;
|
|
particle[i].energy = 0.0;
|
|
particle[i].mass_inv = 1.0/PARTICLE_MASS;
|
|
particle[i].inertia_moment_inv = 1.0/PARTICLE_INERTIA_MOMENT;
|
|
particle[i].vx = 0.0;
|
|
particle[i].vy = 0.0;
|
|
px[i] = 0.0;
|
|
py[i] = 0.0;
|
|
particle[i].angle = DPI*(double)rand()/RAND_MAX;
|
|
particle[i].omega = 0.0;
|
|
pangle[i] = 0.0;
|
|
particle[i].interaction = INTERACTION;
|
|
particle[i].eq_dist = EQUILIBRIUM_DIST;
|
|
particle[i].spin_range = SPIN_RANGE;
|
|
particle[i].spin_freq = SPIN_INTER_FREQUENCY;
|
|
}
|
|
|
|
/* add particles at the bottom as seed */
|
|
if (PART_AT_BOTTOM) for (i=0; i<=NPART_BOTTOM; i++)
|
|
{
|
|
x = XMIN + (double)i*(XMAX - XMIN)/(double)NPART_BOTTOM;
|
|
y = YMIN + 2.0*MU;
|
|
add_particle(x, y, 0.0, 0.0, MASS_PART_BOTTOM, 0, particle);
|
|
}
|
|
if (PART_AT_BOTTOM) for (i=0; i<=NPART_BOTTOM; i++)
|
|
{
|
|
x = XMIN + (double)i*(XMAX - XMIN)/(double)NPART_BOTTOM;
|
|
y = YMIN + 4.0*MU;
|
|
add_particle(x, y, 0.0, 0.0, MASS_PART_BOTTOM, 0, particle);
|
|
}
|
|
|
|
/* add larger copies of particles (for Ehrenfest model)*/
|
|
if (EHRENFEST_COPY)
|
|
{
|
|
for (i=0; i < ncircles; i++)
|
|
{
|
|
n = ncircles + i;
|
|
particle[n].xc = -particle[i].xc;
|
|
particle[n].yc = particle[i].yc;
|
|
particle[n].vx = -0.5*particle[i].vx;
|
|
particle[n].vy = 0.5*particle[i].vy;
|
|
px[n] = -0.5*px[i];
|
|
py[n] = 0.5*py[i];
|
|
particle[n].energy = particle[i].energy;
|
|
particle[n].radius = 2.0*particle[i].radius;
|
|
particle[n].type = 2;
|
|
particle[n].mass_inv = 1.25*particle[i].mass_inv;
|
|
particle[n].thermostat = 1;
|
|
particle[n].interaction = particle[i].interaction;
|
|
particle[n].eq_dist = 0.45*particle[i].eq_dist;
|
|
|
|
if ((double)rand()/RAND_MAX > 0.6) particle[n].active = 1;
|
|
}
|
|
ncircles *= 2;
|
|
}
|
|
|
|
/* change type of tracer particle */
|
|
if (TRACER_PARTICLE)
|
|
{
|
|
i = 0;
|
|
while ((!particle[i].active)||(module2(particle[i].xc, particle[i].yc) > 0.5)) i++;
|
|
tracer_n = i;
|
|
particle[tracer_n].type = 2;
|
|
particle[tracer_n].radius *= 1.5;
|
|
particle[tracer_n].mass_inv *= 1.0/TRACER_PARTICLE_MASS;
|
|
particle[tracer_n].vx *= 0.1;
|
|
particle[tracer_n].vy *= 0.1;
|
|
particle[tracer_n].thermostat = 0;
|
|
px[tracer_n] *= 0.1;
|
|
py[tracer_n] *= 0.1;
|
|
}
|
|
|
|
/* position-dependent particle type */
|
|
if (POSITION_DEPENDENT_TYPE) for (i=0; i<ncircles; i++)
|
|
if (particle[i].xc < 0)
|
|
{
|
|
particle[i].type = 2;
|
|
particle[i].mass_inv = 1.0/PARTICLE_MASS_B;
|
|
particle[i].radius = MU_B;
|
|
}
|
|
|
|
/* inactivate particles in obstacle */
|
|
printf("Inactivating particles inside obstacles\n");
|
|
if ((BOUNDARY_COND == BC_CIRCLE)||(BOUNDARY_COND == BC_PERIODIC_CIRCLE))
|
|
{
|
|
for (i=0; i< ncircles; i++)
|
|
if ((module2(particle[i].xc - OBSTACLE_XMIN, particle[i].yc) < 1.2*OBSTACLE_RADIUS))
|
|
particle[i].active = 0;
|
|
}
|
|
else if (BOUNDARY_COND == BC_PERIODIC_FUNNEL)
|
|
{
|
|
for (i=0; i< ncircles; i++)
|
|
for (k=-1; k<2; k+=2)
|
|
if ((module2(particle[i].xc, particle[i].yc - (double)k*(FUNNEL_WIDTH + OBSTACLE_RADIUS)) < OBSTACLE_RADIUS + 2.0*MU))
|
|
{
|
|
printf("Inactivating particle at (%.3lg, %.3lg)\n", particle[i].xc, particle[i].yc);
|
|
particle[i].active = 0;
|
|
}
|
|
}
|
|
else if (BOUNDARY_COND == BC_PERIODIC_TRIANGLE)
|
|
{
|
|
h = 2.0*OBSTACLE_RADIUS*tan(APOLY*PID);
|
|
for (i=0; i< ncircles; i++)
|
|
if ((vabs(particle[i].xc) < OBSTACLE_RADIUS + 2.0*MU)
|
|
&&(2.0*OBSTACLE_RADIUS*vabs(particle[i].yc) < h*(OBSTACLE_RADIUS + 2.0*MU - particle[i].xc)))
|
|
{
|
|
printf("Inactivating particle at (%.3lg, %.3lg)\n", particle[i].xc, particle[i].yc);
|
|
particle[i].active = 0;
|
|
}
|
|
}
|
|
else if (BOUNDARY_COND == BC_EHRENFEST)
|
|
{
|
|
for (i=0; i< ncircles; i++)
|
|
if (module2(vabs(particle[i].xc) -1.0, particle[i].yc) > EHRENFEST_RADIUS)
|
|
particle[i].active = 0;
|
|
}
|
|
if (ADD_FIXED_OBSTACLES)
|
|
{
|
|
for (i=0; i< ncircles; i++) for (j=0; j < nobstacles; j++)
|
|
if (module2(particle[i].xc - obstacle[j].xc, particle[i].yc - obstacle[j].yc) < OBSTACLE_RADIUS + particle[i].radius)
|
|
particle[i].active = 0;
|
|
}
|
|
|
|
/* count number of active particles */
|
|
for (i=0; i< ncircles; i++) nactive += particle[i].active;
|
|
printf("%i active particles\n", nactive);
|
|
|
|
return(nactive);
|
|
}
|
|
|
|
|
|
int add_particles(t_particle particle[NMAXCIRCLES], double px[NMAXCIRCLES], double py[NMAXCIRCLES], int nadd_particle)
|
|
/* add several particles to the system */
|
|
{
|
|
// add_particle(XMIN + 0.1, 0.0, 50.0, 0.0, 3.0, 0, particle);
|
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// px[ncircles - 1] = particle[ncircles - 1].vx;
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// py[ncircles - 1] = particle[ncircles - 1].vy;
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// particle[ncircles - 1].radius = 1.5*MU;
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// j = 0;
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// while (module2(particle[j].xc,particle[j].yc) > 0.7) j = rand()%ncircles;
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|
// x = particle[j].xc + 2.5*MU;
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// y = particle[j].yc;
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|
|
|
// x = XMIN + (XMAX - XMIN)*rand()/RAND_MAX;
|
|
// y = YMAX + 0.01*rand()/RAND_MAX;
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|
// add_particle(x, y, 0.0, 0.0, 1.0, 0, particle);
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|
|
|
// x = XMIN + 0.25*(XMAX - XMIN);
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|
// y = YMAX + 0.01;
|
|
// prop = 1.0 - (double)nadd_particle/5.0;
|
|
// vx = 100.0*prop;
|
|
// add_particle(x, y, vx, -10.0, 5.0*prop, 0, particle);
|
|
// particle[ncircles - 1].radius = 10.0*MU*prop;
|
|
// particle[ncircles - 1].eq_dist = 2.0;
|
|
// particle[ncircles - 1].thermostat = 0;
|
|
// px[ncircles - 1] = particle[ncircles - 1].vx;
|
|
// py[ncircles - 1] = particle[ncircles - 1].vy;
|
|
|
|
printf("Adding a particle\n\n");
|
|
add_particle(MU*(2.0*rand()/RAND_MAX - 1.0), YMAX + 2.0*MU, 0.0, 0.0, PARTICLE_MASS, 0, particle);
|
|
|
|
particle[ncircles - 1].radius = MU;
|
|
particle[ncircles - 1].eq_dist = EQUILIBRIUM_DIST;
|
|
particle[ncircles - 1].thermostat = 0;
|
|
px[ncircles - 1] = particle[ncircles - 1].vx;
|
|
py[ncircles - 1] = particle[ncircles - 1].vy;
|
|
return (nadd_particle + 1);
|
|
}
|
|
|
|
|
|
void center_momentum(double p[NMAXCIRCLES])
|
|
{
|
|
int i;
|
|
double ptot = 0.0, pmean;
|
|
|
|
for (i=0; i<ncircles; i++) ptot += p[i];
|
|
pmean = ptot/(double)ncircles;
|
|
for (i=0; i<ncircles; i++) p[i] -= pmean;
|
|
}
|
|
|
|
|
|
int floor_momentum(double p[NMAXCIRCLES])
|
|
{
|
|
int i, floor = 0;
|
|
double ptot = 0.0, pmean;
|
|
|
|
for (i=0; i<ncircles; i++)
|
|
{
|
|
if (p[i] > PMAX)
|
|
{
|
|
p[i] = PMAX;
|
|
floor = 1;
|
|
}
|
|
else if (p[i] < -PMAX)
|
|
{
|
|
p[i] = -PMAX;
|
|
floor = 1;
|
|
}
|
|
}
|
|
if (floor) printf("Flooring momentum\n");
|
|
return (floor);
|
|
}
|
|
|
|
int partial_thermostat_coupling(t_particle particle[NMAXCIRCLES], double xmin)
|
|
/* only couple particles with x > xmin to thermostat */
|
|
{
|
|
int i, nthermo = 0;
|
|
|
|
for (i=0; i<ncircles; i++)
|
|
{
|
|
if (particle[i].xc > xmin)
|
|
{
|
|
particle[i].thermostat = 1;
|
|
nthermo++;
|
|
}
|
|
else particle[i].thermostat = 0;
|
|
}
|
|
return(nthermo);
|
|
}
|
|
|
|
double compute_mean_energy(t_particle particle[NMAXCIRCLES])
|
|
{
|
|
int i, nactive = 0;
|
|
double total_energy = 0.0;
|
|
|
|
for (i=0; i<ncircles; i++) if (particle[i].active)
|
|
{
|
|
total_energy += particle[i].energy;
|
|
nactive++;
|
|
}
|
|
return(total_energy/(double)nactive);
|
|
} |