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xsun |
1185 |
#include<stdio.h> |
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#include<string.h> |
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#include<stdlib.h> |
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#include<math.h> |
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#include<fftw.h> |
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// Structures to store our data: |
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// coords holds the data for a single tethered dipole: |
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struct coords{ |
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double pos[3]; // cartesian coords |
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double theta; // orientational angle relative to z axis |
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double phi; // orientational angle in x-y plane |
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double mu; // dipole strength |
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char name[30]; // an identifier for the type of atom |
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}; |
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// state holds the current "configuration" of the entire system |
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struct system { |
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int nAtoms; // Number of Atoms in this configuration |
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struct coords *r; // The set of coordinates for all atoms |
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double beta; // beta = 1 /(kb*T) |
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double strength; // strength of the dipoles (Debye) |
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double z0; // default z axis position |
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double theta0; // default theta angle |
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double kz; // force constant for z displacement |
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double ktheta; // force constant for theta displacement |
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int nCycles; // How many cycles to do in total |
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int iCycle; // How many cycles have we done? |
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int nMoves; // How many MC moves in each cycle |
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int nSample; // How many cycles between samples |
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double Hmat[2][2]; // The information about the size of the per. box |
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double HmatI[2][2]; // The inverse box |
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double energy; // The current Energy |
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double dtheta; // maximum size of a theta move |
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double deltaz; // maximum size of a z move |
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double deltaphi; // maximum size of a phi move |
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int nAttempts; // number of MC moves that have been attempted |
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int nAccepts; // number of MC moves that have been accepted |
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int nx; // number of unit cells in x direction |
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int ny; // number of unit cells in y direction |
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struct system *next; // Next frame in the linked list |
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}; |
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char *program_name; |
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int main(argc, argv) |
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int argc; |
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char *argv[]; |
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{ |
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FILE *in_file; |
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char in_name[500]; |
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char *eof_test, *foo; |
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char read_buffer[1000]; |
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int lineCount = 0; |
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double *mag, *newmag; |
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int *present_in_old; |
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double uxi, uyi, uzi, p1; |
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double aLat, bLat; |
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int cells; |
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double sumZ, sumUx, sumUy, sumUz, sumP; |
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double interpsum, value; |
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int ninterp, px, py, newp; |
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int i, j, nloops; |
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int newx, newy, newindex, index; |
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int new_i, new_j, new_index; |
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int N, nframes; |
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double freq_x, freq_y, zero_freq_x, zero_freq_y, freq; |
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double maxfreqx, maxfreqy, maxfreq, dfreq; |
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double dx, dy, dx1, dy1, pt1x, pt1y, pt2x, pt2y; |
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int whichbin; |
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int nbins, nx, ny; |
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int *samples; |
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double *bin; |
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double sumz, sumz2, averz, averz2, sigmaz; |
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int done; |
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char current_flag; |
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program_name = argv[0]; |
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for(i = 1; i < argc; i++){ |
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if(argv[i][0] == '-'){ |
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done = 0; |
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j = 1; |
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current_flag = argv[i][j]; |
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while( (current_flag != '\0') && ( !done ) ){ |
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switch(current_flag){ |
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case 'i': |
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i++; |
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strcpy( in_name, argv[i] ); |
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done = 1; |
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break; |
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} |
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} |
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} |
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} |
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struct system* state; |
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struct system* temp_state; |
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struct coords* r; |
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/* FFTW_COMPLEX *in, *out; */ |
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/* fftwnd_plan p; */ |
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106 |
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/* nbins = 100; */ |
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/* bin = (double *) malloc(sizeof(double) * nbins); */ |
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/* samples = (int *) malloc(sizeof(int) * nbins); */ |
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/* for (i=0; i < nbins; i++) { */ |
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/* bin[i] = 0.0; */ |
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/* samples[i] = 0; */ |
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/* } */ |
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in_file = fopen(in_name, "r"); |
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if(in_file == NULL){ |
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printf("Cannot open file \"%s\" for reading.\n", in_name); |
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exit(8); |
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} |
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nframes = 0; |
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// start reading the first frame |
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eof_test = fgets(read_buffer, sizeof(read_buffer), in_file); |
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lineCount++; |
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state = (struct system *) malloc(sizeof(struct system)); |
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state->next = NULL; |
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state->strength = 10.0; |
130 |
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printf("averz\taverz2\tsigmaz\n"); |
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133 |
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134 |
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while(eof_test != NULL){ |
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136 |
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nframes++; |
137 |
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sumz = 0.0; |
138 |
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sumz2 = 0.0; |
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averz = 0.0; |
140 |
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averz2 = 0.0; |
141 |
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sigmaz = 0.0; |
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(void)sscanf(read_buffer, "%d", &state->nAtoms); |
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N = 2 * state->nAtoms; |
144 |
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145 |
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state->r = (struct coords *)calloc(N, sizeof(struct coords)); |
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mag = (double *) malloc(sizeof(double) * N); |
147 |
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newmag = (double *) malloc(sizeof(double) * N); |
148 |
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present_in_old = (int *) malloc(sizeof(int) * N); |
149 |
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150 |
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// read and the comment line and grab the time and box dimensions |
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152 |
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eof_test = fgets(read_buffer, sizeof(read_buffer), in_file); |
153 |
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lineCount++; |
154 |
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if(eof_test == NULL){ |
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printf("error in reading file at line: %d\n", lineCount); |
156 |
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exit(8); |
157 |
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} |
158 |
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159 |
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foo = strtok( read_buffer, " ,;\t\n" ); |
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(void)sscanf( read_buffer, "%d", &state->iCycle ); |
161 |
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162 |
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foo = strtok(NULL, " ,;\t\0"); |
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if(foo == NULL){ |
164 |
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printf("error in reading file at line: %d\n", lineCount); |
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exit(8); |
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} |
167 |
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(void)sscanf(foo, "%d", &state->nx); |
168 |
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169 |
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nx = state->nx; |
170 |
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171 |
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foo = strtok(NULL, " ,;\t\0"); |
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if(foo == NULL){ |
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printf("error in reading file at line: %d\n", lineCount); |
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exit(8); |
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} |
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(void)sscanf(foo, "%d", &state->ny); |
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ny = state->ny; |
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180 |
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foo = strtok(NULL, " ,;\t\0"); |
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if(foo == NULL){ |
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printf("error in reading file at line: %d\n", lineCount); |
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exit(8); |
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} |
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(void)sscanf(foo, "%lf",&state->Hmat[0][0]); |
186 |
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187 |
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foo = strtok(NULL, " ,;\t\0"); |
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if(foo == NULL){ |
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printf("error in reading file at line: %d\n", lineCount); |
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exit(8); |
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} |
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(void)sscanf(foo, "%lf",&state->Hmat[1][0]); |
193 |
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194 |
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foo = strtok(NULL, " ,;\t\0"); |
195 |
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if(foo == NULL){ |
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printf("error in reading file at line: %d\n", lineCount); |
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exit(8); |
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} |
199 |
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(void)sscanf(foo, "%lf",&state->Hmat[0][1]); |
200 |
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201 |
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foo = strtok(NULL, " ,;\t\0"); |
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if(foo == NULL){ |
203 |
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printf("error in reading file at line: %d\n", lineCount); |
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exit(8); |
205 |
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} |
206 |
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(void)sscanf(foo, "%lf",&state->Hmat[1][1]); |
207 |
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// Length of the two box vectors: |
209 |
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210 |
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dx = sqrt(pow(state->Hmat[0][0], 2) + pow(state->Hmat[1][0], 2)); |
211 |
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dy = sqrt(pow(state->Hmat[0][1], 2) + pow(state->Hmat[1][1], 2)); |
212 |
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213 |
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aLat = dx / (double)(state->nx); |
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bLat = dy / (double)(state->ny); |
215 |
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216 |
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217 |
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// FFT stuff depends on nx and ny, so delay allocation until we have |
218 |
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// that information |
219 |
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220 |
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/* in = fftw_malloc(sizeof(FFTW_COMPLEX) * N); */ |
221 |
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/* out = fftw_malloc(sizeof(FFTW_COMPLEX) * N); */ |
222 |
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/* p = fftw2d_create_plan(2*state->nx, */ |
223 |
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/* 2*state->ny, */ |
224 |
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/* FFTW_FORWARD, */ |
225 |
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/* FFTW_ESTIMATE); */ |
226 |
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227 |
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228 |
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/* for (i = 0; i < N; i++) { */ |
229 |
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/* present_in_old[i] = 0; */ |
230 |
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/* } */ |
231 |
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232 |
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for (i=0;i<2*state->nx;i=i+2){ |
233 |
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for(j=0;j<2*state->ny;j++){ |
234 |
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newy = j; |
235 |
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if ((j % 2) == 0) { |
236 |
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newx = i; |
237 |
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} else { |
238 |
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newx = i + 1; |
239 |
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} |
240 |
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newindex = newx*2*state->ny + newy; |
241 |
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242 |
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eof_test = fgets(read_buffer, sizeof(read_buffer), in_file); |
243 |
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lineCount++; |
244 |
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if(eof_test == NULL){ |
245 |
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printf("error in reading file at line: %d\n", lineCount); |
246 |
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exit(8); |
247 |
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} |
248 |
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249 |
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foo = strtok(read_buffer, " ,;\t\0"); |
250 |
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(void)strcpy(state->r[newindex].name, foo); //copy the atom name |
251 |
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252 |
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// next we grab the positions |
253 |
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254 |
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foo = strtok(NULL, " ,;\t\0"); |
255 |
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if(foo == NULL){ |
256 |
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printf("error in reading postition x from %s\n" |
257 |
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"natoms = %d, line = %d\n", |
258 |
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in_name, state->nAtoms, lineCount ); |
259 |
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exit(8); |
260 |
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} |
261 |
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(void)sscanf( foo, "%lf", &state->r[newindex].pos[0] ); |
262 |
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263 |
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foo = strtok(NULL, " ,;\t\0"); |
264 |
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if(foo == NULL){ |
265 |
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printf("error in reading postition y from %s\n" |
266 |
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"natoms = %d, line = %d\n", |
267 |
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in_name, state->nAtoms, lineCount ); |
268 |
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exit(8); |
269 |
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} |
270 |
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(void)sscanf( foo, "%lf", &state->r[newindex].pos[1] ); |
271 |
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272 |
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foo = strtok(NULL, " ,;\t\0"); |
273 |
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if(foo == NULL){ |
274 |
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printf("error in reading postition z from %s\n" |
275 |
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"natoms = %d, line = %d\n", |
276 |
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in_name, state->nAtoms, lineCount ); |
277 |
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exit(8); |
278 |
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} |
279 |
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(void)sscanf( foo, "%lf", &state->r[newindex].pos[2] ); |
280 |
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sumz += state->r[newindex].pos[2]; |
281 |
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sumz2 += pow(state->r[newindex].pos[2],2); |
282 |
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283 |
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foo = strtok(NULL, " ,;\t\0"); |
284 |
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if(foo == NULL){ |
285 |
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printf("error in reading angle phi from %s\n" |
286 |
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"natoms = %d, line = %d\n", |
287 |
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in_name, state->nAtoms, lineCount ); |
288 |
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exit(8); |
289 |
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} |
290 |
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(void)sscanf( foo, "%lf", &state->r[newindex].phi ); |
291 |
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292 |
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foo = strtok(NULL, " ,;\t\0"); |
293 |
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if(foo == NULL){ |
294 |
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printf("error in reading unit vector x from %s\n" |
295 |
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"natoms = %d, line = %d\n", |
296 |
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in_name, state->nAtoms, lineCount ); |
297 |
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exit(8); |
298 |
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} |
299 |
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(void)sscanf( foo, "%lf", &uxi ); |
300 |
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301 |
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foo = strtok(NULL, " ,;\t\0"); |
302 |
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if(foo == NULL){ |
303 |
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printf("error in reading unit vector y from %s\n" |
304 |
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"natoms = %d, line = %d\n", |
305 |
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in_name, state->nAtoms, lineCount ); |
306 |
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exit(8); |
307 |
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} |
308 |
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(void)sscanf( foo, "%lf", &uyi ); |
309 |
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310 |
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foo = strtok(NULL, " ,;\t\0"); |
311 |
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if(foo == NULL){ |
312 |
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printf("error in reading unit vector z from %s\n" |
313 |
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"natoms = %d, line = %d\n", |
314 |
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in_name, state->nAtoms, lineCount ); |
315 |
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exit(8); |
316 |
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} |
317 |
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(void)sscanf( foo, "%lf", &uzi ); |
318 |
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319 |
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state->r[newindex].theta = acos(uzi); |
320 |
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321 |
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// The one parameter not stored in the dump file is the dipole strength |
322 |
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state->r[newindex].mu = state->strength; |
323 |
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324 |
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present_in_old[newindex] = 1; |
325 |
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} |
326 |
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} |
327 |
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averz = sumz / state->nAtoms; |
328 |
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averz2 = sumz2 / state->nAtoms; |
329 |
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sigmaz = sqrt(averz2 - pow(averz,2)); |
330 |
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printf("%lf\t%lf\t%lf\n", averz, averz2, sigmaz); |
331 |
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332 |
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/* for (i=0; i< 2*state->nx; i++) { */ |
333 |
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/* for(j=0; j< 2*state->ny; j++) { */ |
334 |
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/* newindex = i*2*state->ny + j; */ |
335 |
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/* mag[newindex] = 0.0; */ |
336 |
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/* newmag[newindex] = 0.0; */ |
337 |
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/* } */ |
338 |
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/* } */ |
339 |
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340 |
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/* for (i=0; i< 2*state->nx; i++) { */ |
341 |
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/* for(j=0; j< 2*state->ny; j++) { */ |
342 |
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/* newindex = i*2*state->ny + j; */ |
343 |
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/* if (present_in_old[newindex] == 0) { */ |
344 |
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/* // interpolate from surrounding points: */ |
345 |
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346 |
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/* interpsum = 0.0; */ |
347 |
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/* ninterp = 0; */ |
348 |
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349 |
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/* //point1 = bottom; */ |
350 |
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351 |
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/* px = i - 1; */ |
352 |
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/* py = j; */ |
353 |
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/* newp = px*2*state->ny + py; */ |
354 |
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/* if (px >= 0) { */ |
355 |
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/* interpsum += state->r[newp].pos[2]; */ |
356 |
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/* ninterp++; */ |
357 |
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/* state->r[newindex].pos[1] = state->r[newp].pos[1]; */ |
358 |
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/* } */ |
359 |
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360 |
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/* //point2 = top; */ |
361 |
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362 |
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/* px = i + 1; */ |
363 |
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/* py = j; */ |
364 |
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/* newp = px*2*state->ny + py; */ |
365 |
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/* if (px < 2*state->nx) { */ |
366 |
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/* interpsum += state->r[newp].pos[2]; */ |
367 |
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/* ninterp++; */ |
368 |
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/* state->r[newindex].pos[1] = state->r[newp].pos[1]; */ |
369 |
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/* } */ |
370 |
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371 |
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/* //point3 = left; */ |
372 |
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373 |
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/* px = i; */ |
374 |
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/* py = j - 1; */ |
375 |
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/* newp = px*2*state->ny + py; */ |
376 |
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|
/* if (py >= 0) { */ |
377 |
|
|
/* interpsum += state->r[newp].pos[2]; */ |
378 |
|
|
/* ninterp++; */ |
379 |
|
|
/* state->r[newindex].pos[0] = state->r[newp].pos[0]; */ |
380 |
|
|
/* } */ |
381 |
|
|
|
382 |
|
|
/* //point4 = right; */ |
383 |
|
|
|
384 |
|
|
/* px = i; */ |
385 |
|
|
/* py = j + 1; */ |
386 |
|
|
/* newp = px*2*state->ny + py; */ |
387 |
|
|
/* if (py < 2*state->ny) { */ |
388 |
|
|
/* interpsum += state->r[newp].pos[2]; */ |
389 |
|
|
/* ninterp++; */ |
390 |
|
|
/* state->r[newindex].pos[0] = state->r[newp].pos[0]; */ |
391 |
|
|
/* } */ |
392 |
|
|
|
393 |
|
|
/* value = interpsum / (double)ninterp; */ |
394 |
|
|
|
395 |
|
|
/* state->r[newindex].pos[2] = value; */ |
396 |
|
|
/* } */ |
397 |
|
|
/* } */ |
398 |
|
|
/* } */ |
399 |
|
|
|
400 |
|
|
|
401 |
|
|
|
402 |
|
|
|
403 |
|
|
|
404 |
|
|
/* for (i=0; i < 2*state->nx; i++) { */ |
405 |
|
|
/* for (j=0; j < 2*state->ny; j++) { */ |
406 |
|
|
/* newindex = i*2*state->ny + j; */ |
407 |
|
|
|
408 |
|
|
/* c_re(in[newindex]) = state->r[newindex].pos[2]; */ |
409 |
|
|
/* c_im(in[newindex]) = 0.0; */ |
410 |
|
|
/* } */ |
411 |
|
|
/* } */ |
412 |
|
|
|
413 |
|
|
|
414 |
|
|
/* fftwnd(p, 1, in, 1, 0, out, 1, 0); */ |
415 |
|
|
|
416 |
|
|
/* for (i=0; i< 2*state->nx; i++) { */ |
417 |
|
|
/* for(j=0; j< 2*state->ny; j++) { */ |
418 |
|
|
/* newindex = i*2*state->ny + j; */ |
419 |
|
|
/* mag[newindex] += sqrt(pow(c_re(out[newindex]),2) + pow(c_im(out[newindex]),2)); */ |
420 |
|
|
/* } */ |
421 |
|
|
/* } */ |
422 |
|
|
|
423 |
|
|
|
424 |
|
|
temp_state = state->next; |
425 |
|
|
state->next = NULL; |
426 |
|
|
|
427 |
|
|
if (temp_state != NULL) { |
428 |
|
|
free(temp_state->r); |
429 |
|
|
free(temp_state); |
430 |
|
|
} |
431 |
|
|
|
432 |
|
|
|
433 |
|
|
/* fftwnd_destroy_plan(p); */ |
434 |
|
|
/* fftw_free(out); */ |
435 |
|
|
/* fftw_free(in); */ |
436 |
|
|
|
437 |
|
|
free(present_in_old); |
438 |
|
|
|
439 |
|
|
// Make a new frame |
440 |
|
|
|
441 |
|
|
temp_state = (struct system *) malloc(sizeof(struct system)); |
442 |
|
|
temp_state->next = state; |
443 |
|
|
state = temp_state; |
444 |
|
|
eof_test = fgets(read_buffer, sizeof(read_buffer), in_file); |
445 |
|
|
lineCount++; |
446 |
|
|
|
447 |
|
|
} |
448 |
|
|
|
449 |
|
|
|
450 |
|
|
// This stuff is for printing out the FFT results directly for matlab: |
451 |
|
|
|
452 |
|
|
/* for (i=0; i < 2*nx; i++) { */ |
453 |
|
|
/* for(j=0; j< 2*ny; j++) { */ |
454 |
|
|
/* newindex = i*2*ny + j; */ |
455 |
|
|
/* printf("%lf\t", mag[newindex]/(double)nframes); */ |
456 |
|
|
/* } */ |
457 |
|
|
/* printf("\n"); */ |
458 |
|
|
/* } */ |
459 |
|
|
|
460 |
|
|
|
461 |
|
|
// This stuff is for stitching the four quadrants together: |
462 |
|
|
|
463 |
|
|
/* for (i=0; i< (2*nx/2); i++) { */ |
464 |
|
|
/* for(j=0; j< (2*ny/2); j++) { */ |
465 |
|
|
/* index = i*2*ny + j; */ |
466 |
|
|
/* new_i = i + (2*nx/2); */ |
467 |
|
|
/* new_j = j + (2*ny/2); */ |
468 |
|
|
/* new_index = new_i*2*ny + new_j; */ |
469 |
|
|
/* newmag[new_index] = mag[index]; */ |
470 |
|
|
/* } */ |
471 |
|
|
/* } */ |
472 |
|
|
|
473 |
|
|
/* for (i=(2*nx/2); i< 2*nx; i++) { */ |
474 |
|
|
/* for(j=0; j< (2*ny/2); j++) { */ |
475 |
|
|
/* index = i*2*ny + j; */ |
476 |
|
|
/* new_i = i - (2*nx/2); */ |
477 |
|
|
/* new_j = j + (2*ny/2); */ |
478 |
|
|
/* new_index = new_i*2*ny + new_j; */ |
479 |
|
|
/* newmag[new_index] = mag[index]; */ |
480 |
|
|
/* } */ |
481 |
|
|
/* } */ |
482 |
|
|
|
483 |
|
|
/* for (i=0; i< (2*nx/2); i++) { */ |
484 |
|
|
/* for(j=(2*ny/2); j< 2*ny; j++) { */ |
485 |
|
|
/* index = i*2*ny + j; */ |
486 |
|
|
/* new_i = i + (2*nx/2); */ |
487 |
|
|
/* new_j = j - (2*ny/2); */ |
488 |
|
|
/* new_index = new_i*2*ny + new_j; */ |
489 |
|
|
/* newmag[new_index] = mag[index]; */ |
490 |
|
|
/* } */ |
491 |
|
|
/* } */ |
492 |
|
|
|
493 |
|
|
/* for (i=(2*nx/2); i< 2*nx; i++) { */ |
494 |
|
|
/* for(j=(2*ny/2); j< 2*ny; j++) { */ |
495 |
|
|
/* index = i*2*ny + j; */ |
496 |
|
|
/* new_i = i - (2*nx/2); */ |
497 |
|
|
/* new_j = j - (2*ny/2); */ |
498 |
|
|
/* new_index = new_i*2*ny + new_j; */ |
499 |
|
|
/* newmag[new_index] = mag[index]; */ |
500 |
|
|
/* } */ |
501 |
|
|
/* } */ |
502 |
|
|
|
503 |
|
|
/* maxfreqx = 2.0 / aLat; */ |
504 |
|
|
/* maxfreqy = 2.0 / bLat; */ |
505 |
|
|
|
506 |
|
|
/* // printf("%lf\t%lf\t%lf\t%lf\n", dx, dy, maxfreqx, maxfreqy); */ |
507 |
|
|
|
508 |
|
|
/* maxfreq = sqrt(maxfreqx*maxfreqx + maxfreqy*maxfreqy); */ |
509 |
|
|
/* dfreq = maxfreq/(double)(nbins-1); */ |
510 |
|
|
|
511 |
|
|
/* //printf("%lf\n", dfreq); */ |
512 |
|
|
|
513 |
|
|
/* zero_freq_x = nx; */ |
514 |
|
|
/* zero_freq_y = ny; */ |
515 |
|
|
|
516 |
|
|
/* for (i=0; i< 2*nx; i++) { */ |
517 |
|
|
/* for(j=0; j< 2*ny; j++) { */ |
518 |
|
|
|
519 |
|
|
/* freq_x = (double)(i - zero_freq_x)*maxfreqx / nx; */ |
520 |
|
|
/* freq_y = (double)(j - zero_freq_y)*maxfreqy / ny; */ |
521 |
|
|
|
522 |
|
|
/* freq = sqrt(freq_x*freq_x + freq_y*freq_y); */ |
523 |
|
|
|
524 |
|
|
/* whichbin = (int) (freq / dfreq); */ |
525 |
|
|
/* newindex = i*2*ny + j; */ |
526 |
|
|
/* // printf("%d %d %lf %lf\n", whichbin, newindex, freq, dfreq); */ |
527 |
|
|
/* bin[whichbin] += mag[newindex]; */ |
528 |
|
|
/* samples[whichbin]++; */ |
529 |
|
|
/* } */ |
530 |
|
|
/* } */ |
531 |
|
|
|
532 |
|
|
|
533 |
|
|
|
534 |
|
|
|
535 |
|
|
/* for (i = 0; i < nbins; i++) { */ |
536 |
|
|
/* if (samples[i] > 0) { */ |
537 |
|
|
/* printf("%lf\t%lf\n", i*dfreq, bin[i]/(double)samples[i]); */ |
538 |
|
|
/* } */ |
539 |
|
|
/* } */ |
540 |
|
|
|
541 |
|
|
// This stuff is for stitching the four quadrants together: |
542 |
|
|
|
543 |
|
|
/* for (i=0; i< (2*nx/2); i++) { */ |
544 |
|
|
/* for(j=0; j< (2*ny/2); j++) { */ |
545 |
|
|
/* index = i*2*ny + j; */ |
546 |
|
|
/* new_i = i + (2*nx/2); */ |
547 |
|
|
/* new_j = j + (2*ny/2); */ |
548 |
|
|
/* new_index = new_i*2*ny + new_j; */ |
549 |
|
|
/* newmag[new_index] = mag[index]; */ |
550 |
|
|
/* } */ |
551 |
|
|
/* } */ |
552 |
|
|
|
553 |
|
|
/* for (i=(2*nx/2); i< 2*nx; i++) { */ |
554 |
|
|
/* for(j=0; j< (2*ny/2); j++) { */ |
555 |
|
|
/* index = i*2*ny + j; */ |
556 |
|
|
/* new_i = i - (2*nx/2); */ |
557 |
|
|
/* new_j = j + (2*ny/2); */ |
558 |
|
|
/* new_index = new_i*2*ny + new_j; */ |
559 |
|
|
/* newmag[new_index] = mag[index]; */ |
560 |
|
|
/* } */ |
561 |
|
|
/* } */ |
562 |
|
|
|
563 |
|
|
/* for (i=0; i< (2*nx/2); i++) { */ |
564 |
|
|
/* for(j=(2*ny/2); j< 2*ny; j++) { */ |
565 |
|
|
/* index = i*2*ny + j; */ |
566 |
|
|
/* new_i = i + (2*nx/2); */ |
567 |
|
|
/* new_j = j - (2*ny/2); */ |
568 |
|
|
/* new_index = new_i*2*ny + new_j; */ |
569 |
|
|
/* newmag[new_index] = mag[index]; */ |
570 |
|
|
/* } */ |
571 |
|
|
/* } */ |
572 |
|
|
|
573 |
|
|
/* for (i=(2*nx/2); i< 2*nx; i++) { */ |
574 |
|
|
/* for(j=(2*ny/2); j< 2*ny; j++) { */ |
575 |
|
|
/* index = i*2*ny + j; */ |
576 |
|
|
/* new_i = i - (2*nx/2); */ |
577 |
|
|
/* new_j = j - (2*ny/2); */ |
578 |
|
|
/* new_index = new_i*2*ny + new_j; */ |
579 |
|
|
/* newmag[new_index] = mag[index]; */ |
580 |
|
|
/* } */ |
581 |
|
|
/* } */ |
582 |
|
|
|
583 |
|
|
/* for (i=0; i < 2*nx; i++) { */ |
584 |
|
|
/* for(j=0; j< 2*ny; j++) { */ |
585 |
|
|
/* newindex = i*2*ny + j; */ |
586 |
|
|
/* printf("%lf\t",newmag[newindex]/(double)nframes); */ |
587 |
|
|
/* } */ |
588 |
|
|
/* printf("\n"); */ |
589 |
|
|
/* } */ |
590 |
|
|
|
591 |
|
|
// This stuff is for printing out the FFT results directly: |
592 |
|
|
|
593 |
|
|
/* for (i=0; i < 2*nx; i++) { */ |
594 |
|
|
/* for(j=0; j< 2*ny; j++) { */ |
595 |
|
|
/* newindex = i*2*ny + j; */ |
596 |
|
|
/* printf("%lf\t", mag[newindex]/(double)nframes); */ |
597 |
|
|
/* } */ |
598 |
|
|
/* printf("\n"); */ |
599 |
|
|
/* } */ |
600 |
|
|
|
601 |
|
|
fclose(in_file); |
602 |
|
|
free(newmag); |
603 |
|
|
free(mag); |
604 |
|
|
free(samples); |
605 |
|
|
free(bin); |
606 |
|
|
free(state); |
607 |
|
|
return(0); |
608 |
|
|
} |
609 |
|
|
|
610 |
|
|
/* } */ |
611 |
|
|
/* for(i=0;i<120;i++) printf("%f\t%f\n", c_re(out[i]), c_im(out[i])); */ |
612 |
|
|
/* fftw_destroy_plan(p); */ |
613 |
|
|
/* fftw_free(in); */ |
614 |
|
|
/* fftw_free(out); */ |
615 |
|
|
/* averZ = sumZ / (double)nloops; */ |
616 |
|
|
/* averUx = sumUx / (double)nloops; */ |
617 |
|
|
/* averUy = sumUy / (double)nloops; */ |
618 |
|
|
/* averUz = sumUz / (double)nloops; */ |
619 |
|
|
/* averP = 1.5*sumP / (double)nloops-0.5; */ |
620 |
|
|
/* averTheta = acos(averUz); */ |
621 |
|
|
/* printf("nloops=%d\n",nloops); */ |
622 |
|
|
/* printf("sumZ=%f\n",sumZ); */ |
623 |
|
|
/* printf("average height is : %f\n",averZ); */ |
624 |
|
|
/* printf("average ux is : %f\n",averUx); */ |
625 |
|
|
/* printf("average uy is : %f\n",averUy); */ |
626 |
|
|
/* printf("average uz is : %f\n",averUz); */ |
627 |
|
|
/* printf("average angle is : %f\n",averTheta); */ |
628 |
|
|
/* printf("average p is : %f\n",averP); */ |
629 |
|
|
|
630 |
|
|
|
631 |
|
|
/* return 0; */ |
632 |
|
|
/* }*/ |