| 1 |
#include<stdio.h> |
| 2 |
#include<string.h> |
| 3 |
#include<stdlib.h> |
| 4 |
#include<math.h> |
| 5 |
#include<fftw.h> |
| 6 |
|
| 7 |
// Structures to store our data: |
| 8 |
|
| 9 |
// coords holds the data for a single tethered dipole: |
| 10 |
struct coords{ |
| 11 |
double pos[3]; // cartesian coords |
| 12 |
double theta; // orientational angle relative to z axis |
| 13 |
double phi; // orientational angle in x-y plane |
| 14 |
double mu; // dipole strength |
| 15 |
char name[30]; // an identifier for the type of atom |
| 16 |
}; |
| 17 |
|
| 18 |
// state holds the current "configuration" of the entire system |
| 19 |
struct system { |
| 20 |
int nAtoms; // Number of Atoms in this configuration |
| 21 |
struct coords *r; // The set of coordinates for all atoms |
| 22 |
double beta; // beta = 1 /(kb*T) |
| 23 |
double strength; // strength of the dipoles (Debye) |
| 24 |
double z0; // default z axis position |
| 25 |
double theta0; // default theta angle |
| 26 |
double kz; // force constant for z displacement |
| 27 |
double ktheta; // force constant for theta displacement |
| 28 |
int nCycles; // How many cycles to do in total |
| 29 |
int iCycle; // How many cycles have we done? |
| 30 |
int nMoves; // How many MC moves in each cycle |
| 31 |
int nSample; // How many cycles between samples |
| 32 |
double Hmat[2][2]; // The information about the size of the per. box |
| 33 |
double HmatI[2][2]; // The inverse box |
| 34 |
double energy; // The current Energy |
| 35 |
double dtheta; // maximum size of a theta move |
| 36 |
double deltaz; // maximum size of a z move |
| 37 |
double deltaphi; // maximum size of a phi move |
| 38 |
int nAttempts; // number of MC moves that have been attempted |
| 39 |
int nAccepts; // number of MC moves that have been accepted |
| 40 |
int nx; // number of unit cells in x direction |
| 41 |
int ny; // number of unit cells in y direction |
| 42 |
struct system *next; // Next frame in the linked list |
| 43 |
}; |
| 44 |
|
| 45 |
char *program_name; |
| 46 |
|
| 47 |
int main(argc, argv) |
| 48 |
int argc; |
| 49 |
char *argv[]; |
| 50 |
{ |
| 51 |
FILE *in_file; |
| 52 |
char in_name[500]; |
| 53 |
char *eof_test, *foo; |
| 54 |
char read_buffer[1000]; |
| 55 |
int lineCount = 0; |
| 56 |
double *mag, *newmag; |
| 57 |
int *present_in_old; |
| 58 |
double uxi, uyi, uzi, p1; |
| 59 |
double aLat, bLat; |
| 60 |
int cells; |
| 61 |
double sumZ, sumUx, sumUy, sumUz, sumP; |
| 62 |
double interpsum, value; |
| 63 |
int ninterp, px, py, newp; |
| 64 |
int i, j, nloops; |
| 65 |
int newx, newy, newindex, index; |
| 66 |
int new_i, new_j, new_index; |
| 67 |
int N, nframes; |
| 68 |
double freq_x, freq_y, zero_freq_x, zero_freq_y, freq; |
| 69 |
double maxfreqx, maxfreqy, maxfreq, dfreq; |
| 70 |
double dx, dy, dx1, dy1, pt1x, pt1y, pt2x, pt2y; |
| 71 |
int whichbin; |
| 72 |
int nbins, nx, ny; |
| 73 |
int *samples; |
| 74 |
double *bin; |
| 75 |
|
| 76 |
int done; |
| 77 |
char current_flag; |
| 78 |
|
| 79 |
program_name = argv[0]; |
| 80 |
|
| 81 |
for(i = 1; i < argc; i++){ |
| 82 |
if(argv[i][0] == '-'){ |
| 83 |
done = 0; |
| 84 |
j = 1; |
| 85 |
current_flag = argv[i][j]; |
| 86 |
while( (current_flag != '\0') && ( !done ) ){ |
| 87 |
switch(current_flag){ |
| 88 |
case 'i': |
| 89 |
i++; |
| 90 |
strcpy( in_name, argv[i] ); |
| 91 |
done = 1; |
| 92 |
break; |
| 93 |
} |
| 94 |
} |
| 95 |
} |
| 96 |
} |
| 97 |
|
| 98 |
struct system* state; |
| 99 |
struct system* temp_state; |
| 100 |
struct coords* r; |
| 101 |
|
| 102 |
FFTW_COMPLEX *in, *out; |
| 103 |
fftwnd_plan p; |
| 104 |
|
| 105 |
nbins = 100; |
| 106 |
bin = (double *) malloc(sizeof(double) * nbins); |
| 107 |
samples = (int *) malloc(sizeof(int) * nbins); |
| 108 |
for (i=0; i < nbins; i++) { |
| 109 |
bin[i] = 0.0; |
| 110 |
samples[i] = 0; |
| 111 |
} |
| 112 |
|
| 113 |
in_file = fopen(in_name, "r"); |
| 114 |
if(in_file == NULL){ |
| 115 |
printf("Cannot open file \"%s\" for reading.\n", in_name); |
| 116 |
exit(8); |
| 117 |
} |
| 118 |
|
| 119 |
nframes = 0; |
| 120 |
|
| 121 |
// start reading the first frame |
| 122 |
|
| 123 |
eof_test = fgets(read_buffer, sizeof(read_buffer), in_file); |
| 124 |
lineCount++; |
| 125 |
|
| 126 |
state = (struct system *) malloc(sizeof(struct system)); |
| 127 |
state->next = NULL; |
| 128 |
state->strength = 10.0; |
| 129 |
|
| 130 |
|
| 131 |
while(eof_test != NULL){ |
| 132 |
|
| 133 |
nframes++; |
| 134 |
(void)sscanf(read_buffer, "%d", &state->nAtoms); |
| 135 |
N = 2 * state->nAtoms; |
| 136 |
|
| 137 |
state->r = (struct coords *)calloc(N, sizeof(struct coords)); |
| 138 |
mag = (double *) malloc(sizeof(double) * N); |
| 139 |
newmag = (double *) malloc(sizeof(double) * N); |
| 140 |
present_in_old = (int *) malloc(sizeof(int) * N); |
| 141 |
|
| 142 |
// read and the comment line and grab the time and box dimensions |
| 143 |
|
| 144 |
eof_test = fgets(read_buffer, sizeof(read_buffer), in_file); |
| 145 |
lineCount++; |
| 146 |
if(eof_test == NULL){ |
| 147 |
printf("error in reading file at line: %d\n", lineCount); |
| 148 |
exit(8); |
| 149 |
} |
| 150 |
|
| 151 |
foo = strtok( read_buffer, " ,;\t\n" ); |
| 152 |
(void)sscanf( read_buffer, "%d", &state->iCycle ); |
| 153 |
|
| 154 |
foo = strtok(NULL, " ,;\t\0"); |
| 155 |
if(foo == NULL){ |
| 156 |
printf("error in reading file at line: %d\n", lineCount); |
| 157 |
exit(8); |
| 158 |
} |
| 159 |
(void)sscanf(foo, "%d", &state->nx); |
| 160 |
|
| 161 |
nx = state->nx; |
| 162 |
|
| 163 |
foo = strtok(NULL, " ,;\t\0"); |
| 164 |
if(foo == NULL){ |
| 165 |
printf("error in reading file at line: %d\n", lineCount); |
| 166 |
exit(8); |
| 167 |
} |
| 168 |
(void)sscanf(foo, "%d", &state->ny); |
| 169 |
|
| 170 |
ny = state->ny; |
| 171 |
|
| 172 |
foo = strtok(NULL, " ,;\t\0"); |
| 173 |
if(foo == NULL){ |
| 174 |
printf("error in reading file at line: %d\n", lineCount); |
| 175 |
exit(8); |
| 176 |
} |
| 177 |
(void)sscanf(foo, "%lf",&state->Hmat[0][0]); |
| 178 |
|
| 179 |
foo = strtok(NULL, " ,;\t\0"); |
| 180 |
if(foo == NULL){ |
| 181 |
printf("error in reading file at line: %d\n", lineCount); |
| 182 |
exit(8); |
| 183 |
} |
| 184 |
(void)sscanf(foo, "%lf",&state->Hmat[1][0]); |
| 185 |
|
| 186 |
foo = strtok(NULL, " ,;\t\0"); |
| 187 |
if(foo == NULL){ |
| 188 |
printf("error in reading file at line: %d\n", lineCount); |
| 189 |
exit(8); |
| 190 |
} |
| 191 |
(void)sscanf(foo, "%lf",&state->Hmat[0][1]); |
| 192 |
|
| 193 |
foo = strtok(NULL, " ,;\t\0"); |
| 194 |
if(foo == NULL){ |
| 195 |
printf("error in reading file at line: %d\n", lineCount); |
| 196 |
exit(8); |
| 197 |
} |
| 198 |
(void)sscanf(foo, "%lf",&state->Hmat[1][1]); |
| 199 |
|
| 200 |
// Length of the two box vectors: |
| 201 |
|
| 202 |
dx = sqrt(pow(state->Hmat[0][0], 2) + pow(state->Hmat[1][0], 2)); |
| 203 |
dy = sqrt(pow(state->Hmat[0][1], 2) + pow(state->Hmat[1][1], 2)); |
| 204 |
|
| 205 |
aLat = dx / (double)(state->nx); |
| 206 |
bLat = dy / (double)(state->ny); |
| 207 |
|
| 208 |
|
| 209 |
// FFT stuff depends on nx and ny, so delay allocation until we have |
| 210 |
// that information |
| 211 |
|
| 212 |
in = fftw_malloc(sizeof(FFTW_COMPLEX) * N); |
| 213 |
out = fftw_malloc(sizeof(FFTW_COMPLEX) * N); |
| 214 |
p = fftw2d_create_plan(2*state->nx, |
| 215 |
2*state->ny, |
| 216 |
FFTW_FORWARD, |
| 217 |
FFTW_ESTIMATE); |
| 218 |
|
| 219 |
|
| 220 |
for (i = 0; i < N; i++) { |
| 221 |
present_in_old[i] = 0; |
| 222 |
} |
| 223 |
|
| 224 |
for (i=0;i<2*state->nx;i=i+2){ |
| 225 |
for(j=0;j<2*state->ny;j++){ |
| 226 |
newy = j; |
| 227 |
if ((j % 2) == 0) { |
| 228 |
newx = i; |
| 229 |
} else { |
| 230 |
newx = i + 1; |
| 231 |
} |
| 232 |
newindex = newx*2*state->ny + newy; |
| 233 |
|
| 234 |
eof_test = fgets(read_buffer, sizeof(read_buffer), in_file); |
| 235 |
lineCount++; |
| 236 |
if(eof_test == NULL){ |
| 237 |
printf("error in reading file at line: %d\n", lineCount); |
| 238 |
exit(8); |
| 239 |
} |
| 240 |
|
| 241 |
foo = strtok(read_buffer, " ,;\t\0"); |
| 242 |
(void)strcpy(state->r[newindex].name, foo); //copy the atom name |
| 243 |
|
| 244 |
// next we grab the positions |
| 245 |
|
| 246 |
foo = strtok(NULL, " ,;\t\0"); |
| 247 |
if(foo == NULL){ |
| 248 |
printf("error in reading postition x from %s\n" |
| 249 |
"natoms = %d, line = %d\n", |
| 250 |
in_name, state->nAtoms, lineCount ); |
| 251 |
exit(8); |
| 252 |
} |
| 253 |
(void)sscanf( foo, "%lf", &state->r[newindex].pos[0] ); |
| 254 |
|
| 255 |
foo = strtok(NULL, " ,;\t\0"); |
| 256 |
if(foo == NULL){ |
| 257 |
printf("error in reading postition y from %s\n" |
| 258 |
"natoms = %d, line = %d\n", |
| 259 |
in_name, state->nAtoms, lineCount ); |
| 260 |
exit(8); |
| 261 |
} |
| 262 |
(void)sscanf( foo, "%lf", &state->r[newindex].pos[1] ); |
| 263 |
|
| 264 |
foo = strtok(NULL, " ,;\t\0"); |
| 265 |
if(foo == NULL){ |
| 266 |
printf("error in reading postition z from %s\n" |
| 267 |
"natoms = %d, line = %d\n", |
| 268 |
in_name, state->nAtoms, lineCount ); |
| 269 |
exit(8); |
| 270 |
} |
| 271 |
(void)sscanf( foo, "%lf", &state->r[newindex].pos[2] ); |
| 272 |
|
| 273 |
foo = strtok(NULL, " ,;\t\0"); |
| 274 |
if(foo == NULL){ |
| 275 |
printf("error in reading angle phi from %s\n" |
| 276 |
"natoms = %d, line = %d\n", |
| 277 |
in_name, state->nAtoms, lineCount ); |
| 278 |
exit(8); |
| 279 |
} |
| 280 |
(void)sscanf( foo, "%lf", &state->r[newindex].phi ); |
| 281 |
|
| 282 |
foo = strtok(NULL, " ,;\t\0"); |
| 283 |
if(foo == NULL){ |
| 284 |
printf("error in reading unit vector x from %s\n" |
| 285 |
"natoms = %d, line = %d\n", |
| 286 |
in_name, state->nAtoms, lineCount ); |
| 287 |
exit(8); |
| 288 |
} |
| 289 |
(void)sscanf( foo, "%lf", &uxi ); |
| 290 |
|
| 291 |
foo = strtok(NULL, " ,;\t\0"); |
| 292 |
if(foo == NULL){ |
| 293 |
printf("error in reading unit vector y from %s\n" |
| 294 |
"natoms = %d, line = %d\n", |
| 295 |
in_name, state->nAtoms, lineCount ); |
| 296 |
exit(8); |
| 297 |
} |
| 298 |
(void)sscanf( foo, "%lf", &uyi ); |
| 299 |
|
| 300 |
foo = strtok(NULL, " ,;\t\0"); |
| 301 |
if(foo == NULL){ |
| 302 |
printf("error in reading unit vector z from %s\n" |
| 303 |
"natoms = %d, line = %d\n", |
| 304 |
in_name, state->nAtoms, lineCount ); |
| 305 |
exit(8); |
| 306 |
} |
| 307 |
(void)sscanf( foo, "%lf", &uzi ); |
| 308 |
|
| 309 |
state->r[newindex].theta = acos(uzi); |
| 310 |
|
| 311 |
// The one parameter not stored in the dump file is the dipole strength |
| 312 |
state->r[newindex].mu = state->strength; |
| 313 |
|
| 314 |
present_in_old[newindex] = 1; |
| 315 |
} |
| 316 |
} |
| 317 |
|
| 318 |
|
| 319 |
for (i=0; i< 2*state->nx; i++) { |
| 320 |
for(j=0; j< 2*state->ny; j++) { |
| 321 |
newindex = i*2*state->ny + j; |
| 322 |
mag[newindex] = 0.0; |
| 323 |
newmag[newindex] = 0.0; |
| 324 |
} |
| 325 |
} |
| 326 |
|
| 327 |
for (i=0; i< 2*state->nx; i++) { |
| 328 |
for(j=0; j< 2*state->ny; j++) { |
| 329 |
newindex = i*2*state->ny + j; |
| 330 |
if (present_in_old[newindex] == 0) { |
| 331 |
// interpolate from surrounding points: |
| 332 |
|
| 333 |
interpsum = 0.0; |
| 334 |
ninterp = 0; |
| 335 |
|
| 336 |
//point1 = bottom; |
| 337 |
|
| 338 |
px = i - 1; |
| 339 |
py = j; |
| 340 |
newp = px*2*state->ny + py; |
| 341 |
if (px >= 0) { |
| 342 |
interpsum += state->r[newp].pos[2]; |
| 343 |
ninterp++; |
| 344 |
state->r[newindex].pos[1] = state->r[newp].pos[1]; |
| 345 |
} |
| 346 |
|
| 347 |
//point2 = top; |
| 348 |
|
| 349 |
px = i + 1; |
| 350 |
py = j; |
| 351 |
newp = px*2*state->ny + py; |
| 352 |
if (px < 2*state->nx) { |
| 353 |
interpsum += state->r[newp].pos[2]; |
| 354 |
ninterp++; |
| 355 |
state->r[newindex].pos[1] = state->r[newp].pos[1]; |
| 356 |
} |
| 357 |
|
| 358 |
//point3 = left; |
| 359 |
|
| 360 |
px = i; |
| 361 |
py = j - 1; |
| 362 |
newp = px*2*state->ny + py; |
| 363 |
if (py >= 0) { |
| 364 |
interpsum += state->r[newp].pos[2]; |
| 365 |
ninterp++; |
| 366 |
state->r[newindex].pos[0] = state->r[newp].pos[0]; |
| 367 |
} |
| 368 |
|
| 369 |
//point4 = right; |
| 370 |
|
| 371 |
px = i; |
| 372 |
py = j + 1; |
| 373 |
newp = px*2*state->ny + py; |
| 374 |
if (py < 2*state->ny) { |
| 375 |
interpsum += state->r[newp].pos[2]; |
| 376 |
ninterp++; |
| 377 |
state->r[newindex].pos[0] = state->r[newp].pos[0]; |
| 378 |
} |
| 379 |
|
| 380 |
value = interpsum / (double)ninterp; |
| 381 |
|
| 382 |
state->r[newindex].pos[2] = value; |
| 383 |
} |
| 384 |
} |
| 385 |
} |
| 386 |
|
| 387 |
|
| 388 |
|
| 389 |
|
| 390 |
|
| 391 |
for (i=0; i < 2*state->nx; i++) { |
| 392 |
for (j=0; j < 2*state->ny; j++) { |
| 393 |
newindex = i*2*state->ny + j; |
| 394 |
|
| 395 |
c_re(in[newindex]) = state->r[newindex].pos[2]; |
| 396 |
c_im(in[newindex]) = 0.0; |
| 397 |
} |
| 398 |
} |
| 399 |
|
| 400 |
|
| 401 |
fftwnd(p, 1, in, 1, 0, out, 1, 0); |
| 402 |
|
| 403 |
for (i=0; i< 2*state->nx; i++) { |
| 404 |
for(j=0; j< 2*state->ny; j++) { |
| 405 |
newindex = i*2*state->ny + j; |
| 406 |
mag[newindex] += sqrt(pow(c_re(out[newindex]),2) + pow(c_im(out[newindex]),2)); |
| 407 |
} |
| 408 |
} |
| 409 |
|
| 410 |
|
| 411 |
temp_state = state->next; |
| 412 |
state->next = NULL; |
| 413 |
|
| 414 |
if (temp_state != NULL) { |
| 415 |
free(temp_state->r); |
| 416 |
free(temp_state); |
| 417 |
} |
| 418 |
|
| 419 |
|
| 420 |
fftwnd_destroy_plan(p); |
| 421 |
fftw_free(out); |
| 422 |
fftw_free(in); |
| 423 |
|
| 424 |
free(present_in_old); |
| 425 |
|
| 426 |
// Make a new frame |
| 427 |
|
| 428 |
temp_state = (struct system *) malloc(sizeof(struct system)); |
| 429 |
temp_state->next = state; |
| 430 |
state = temp_state; |
| 431 |
eof_test = fgets(read_buffer, sizeof(read_buffer), in_file); |
| 432 |
lineCount++; |
| 433 |
|
| 434 |
} |
| 435 |
|
| 436 |
|
| 437 |
// This stuff is for printing out the FFT results directly for matlab: |
| 438 |
|
| 439 |
/* for (i=0; i < 2*nx; i++) { */ |
| 440 |
/* for(j=0; j< 2*ny; j++) { */ |
| 441 |
/* newindex = i*2*ny + j; */ |
| 442 |
/* printf("%lf\t", mag[newindex]/(double)nframes); */ |
| 443 |
/* } */ |
| 444 |
/* printf("\n"); */ |
| 445 |
/* } */ |
| 446 |
|
| 447 |
|
| 448 |
// This stuff is for stitching the four quadrants together: |
| 449 |
|
| 450 |
for (i=0; i< (2*nx/2); i++) { |
| 451 |
for(j=0; j< (2*ny/2); j++) { |
| 452 |
index = i*2*ny + j; |
| 453 |
new_i = i + (2*nx/2); |
| 454 |
new_j = j + (2*ny/2); |
| 455 |
new_index = new_i*2*ny + new_j; |
| 456 |
newmag[new_index] = mag[index]; |
| 457 |
} |
| 458 |
} |
| 459 |
|
| 460 |
for (i=(2*nx/2); i< 2*nx; i++) { |
| 461 |
for(j=0; j< (2*ny/2); j++) { |
| 462 |
index = i*2*ny + j; |
| 463 |
new_i = i - (2*nx/2); |
| 464 |
new_j = j + (2*ny/2); |
| 465 |
new_index = new_i*2*ny + new_j; |
| 466 |
newmag[new_index] = mag[index]; |
| 467 |
} |
| 468 |
} |
| 469 |
|
| 470 |
for (i=0; i< (2*nx/2); i++) { |
| 471 |
for(j=(2*ny/2); j< 2*ny; j++) { |
| 472 |
index = i*2*ny + j; |
| 473 |
new_i = i + (2*nx/2); |
| 474 |
new_j = j - (2*ny/2); |
| 475 |
new_index = new_i*2*ny + new_j; |
| 476 |
newmag[new_index] = mag[index]; |
| 477 |
} |
| 478 |
} |
| 479 |
|
| 480 |
for (i=(2*nx/2); i< 2*nx; i++) { |
| 481 |
for(j=(2*ny/2); j< 2*ny; j++) { |
| 482 |
index = i*2*ny + j; |
| 483 |
new_i = i - (2*nx/2); |
| 484 |
new_j = j - (2*ny/2); |
| 485 |
new_index = new_i*2*ny + new_j; |
| 486 |
newmag[new_index] = mag[index]; |
| 487 |
} |
| 488 |
} |
| 489 |
|
| 490 |
maxfreqx = 2.0 / aLat; |
| 491 |
maxfreqy = 2.0 / bLat; |
| 492 |
|
| 493 |
// printf("%lf\t%lf\t%lf\t%lf\n", dx, dy, maxfreqx, maxfreqy); |
| 494 |
|
| 495 |
maxfreq = sqrt(maxfreqx*maxfreqx + maxfreqy*maxfreqy); |
| 496 |
dfreq = maxfreq/(double)(nbins-1); |
| 497 |
|
| 498 |
//printf("%lf\n", dfreq); |
| 499 |
|
| 500 |
zero_freq_x = nx; |
| 501 |
zero_freq_y = ny; |
| 502 |
|
| 503 |
for (i=0; i< 2*nx; i++) { |
| 504 |
for(j=0; j< 2*ny; j++) { |
| 505 |
|
| 506 |
freq_x = (double)(i - zero_freq_x)*maxfreqx / nx; |
| 507 |
freq_y = (double)(j - zero_freq_y)*maxfreqy / ny; |
| 508 |
|
| 509 |
freq = sqrt(freq_x*freq_x + freq_y*freq_y); |
| 510 |
|
| 511 |
whichbin = (int) (freq / dfreq); |
| 512 |
newindex = i*2*ny + j; |
| 513 |
// printf("%d %d %lf %lf\n", whichbin, newindex, freq, dfreq); |
| 514 |
bin[whichbin] += mag[newindex]; |
| 515 |
samples[whichbin]++; |
| 516 |
} |
| 517 |
} |
| 518 |
|
| 519 |
|
| 520 |
|
| 521 |
|
| 522 |
for (i = 0; i < nbins; i++) { |
| 523 |
if (samples[i] > 0) { |
| 524 |
printf("%lf\t%lf\n", i*dfreq, bin[i]/(double)samples[i]); |
| 525 |
} |
| 526 |
} |
| 527 |
|
| 528 |
// This stuff is for stitching the four quadrants together: |
| 529 |
|
| 530 |
/* for (i=0; i< (2*nx/2); i++) { */ |
| 531 |
/* for(j=0; j< (2*ny/2); j++) { */ |
| 532 |
/* index = i*2*ny + j; */ |
| 533 |
/* new_i = i + (2*nx/2); */ |
| 534 |
/* new_j = j + (2*ny/2); */ |
| 535 |
/* new_index = new_i*2*ny + new_j; */ |
| 536 |
/* newmag[new_index] = mag[index]; */ |
| 537 |
/* } */ |
| 538 |
/* } */ |
| 539 |
|
| 540 |
/* for (i=(2*nx/2); i< 2*nx; i++) { */ |
| 541 |
/* for(j=0; j< (2*ny/2); j++) { */ |
| 542 |
/* index = i*2*ny + j; */ |
| 543 |
/* new_i = i - (2*nx/2); */ |
| 544 |
/* new_j = j + (2*ny/2); */ |
| 545 |
/* new_index = new_i*2*ny + new_j; */ |
| 546 |
/* newmag[new_index] = mag[index]; */ |
| 547 |
/* } */ |
| 548 |
/* } */ |
| 549 |
|
| 550 |
/* for (i=0; i< (2*nx/2); i++) { */ |
| 551 |
/* for(j=(2*ny/2); j< 2*ny; j++) { */ |
| 552 |
/* index = i*2*ny + j; */ |
| 553 |
/* new_i = i + (2*nx/2); */ |
| 554 |
/* new_j = j - (2*ny/2); */ |
| 555 |
/* new_index = new_i*2*ny + new_j; */ |
| 556 |
/* newmag[new_index] = mag[index]; */ |
| 557 |
/* } */ |
| 558 |
/* } */ |
| 559 |
|
| 560 |
/* for (i=(2*nx/2); i< 2*nx; i++) { */ |
| 561 |
/* for(j=(2*ny/2); j< 2*ny; j++) { */ |
| 562 |
/* index = i*2*ny + j; */ |
| 563 |
/* new_i = i - (2*nx/2); */ |
| 564 |
/* new_j = j - (2*ny/2); */ |
| 565 |
/* new_index = new_i*2*ny + new_j; */ |
| 566 |
/* newmag[new_index] = mag[index]; */ |
| 567 |
/* } */ |
| 568 |
/* } */ |
| 569 |
|
| 570 |
/* for (i=0; i < 2*nx; i++) { */ |
| 571 |
/* for(j=0; j< 2*ny; j++) { */ |
| 572 |
/* newindex = i*2*ny + j; */ |
| 573 |
/* printf("%lf\t",newmag[newindex]/(double)nframes); */ |
| 574 |
/* } */ |
| 575 |
/* printf("\n"); */ |
| 576 |
/* } */ |
| 577 |
|
| 578 |
// This stuff is for printing out the FFT results directly: |
| 579 |
|
| 580 |
/* for (i=0; i < 2*nx; i++) { */ |
| 581 |
/* for(j=0; j< 2*ny; j++) { */ |
| 582 |
/* newindex = i*2*ny + j; */ |
| 583 |
/* printf("%lf\t", mag[newindex]/(double)nframes); */ |
| 584 |
/* } */ |
| 585 |
/* printf("\n"); */ |
| 586 |
/* } */ |
| 587 |
|
| 588 |
fclose(in_file); |
| 589 |
free(newmag); |
| 590 |
free(mag); |
| 591 |
free(samples); |
| 592 |
free(bin); |
| 593 |
free(state); |
| 594 |
return(0); |
| 595 |
} |
| 596 |
|
| 597 |
/* } */ |
| 598 |
/* for(i=0;i<120;i++) printf("%f\t%f\n", c_re(out[i]), c_im(out[i])); */ |
| 599 |
/* fftw_destroy_plan(p); */ |
| 600 |
/* fftw_free(in); */ |
| 601 |
/* fftw_free(out); */ |
| 602 |
/* averZ = sumZ / (double)nloops; */ |
| 603 |
/* averUx = sumUx / (double)nloops; */ |
| 604 |
/* averUy = sumUy / (double)nloops; */ |
| 605 |
/* averUz = sumUz / (double)nloops; */ |
| 606 |
/* averP = 1.5*sumP / (double)nloops-0.5; */ |
| 607 |
/* averTheta = acos(averUz); */ |
| 608 |
/* printf("nloops=%d\n",nloops); */ |
| 609 |
/* printf("sumZ=%f\n",sumZ); */ |
| 610 |
/* printf("average height is : %f\n",averZ); */ |
| 611 |
/* printf("average ux is : %f\n",averUx); */ |
| 612 |
/* printf("average uy is : %f\n",averUy); */ |
| 613 |
/* printf("average uz is : %f\n",averUz); */ |
| 614 |
/* printf("average angle is : %f\n",averTheta); */ |
| 615 |
/* printf("average p is : %f\n",averP); */ |
| 616 |
|
| 617 |
|
| 618 |
/* return 0; */ |
| 619 |
/* }*/ |
