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dummy.c
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Mon, Sep 2, 15:51
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Wed, Sep 4, 15:51 (2 d)
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rLAMMPS lammps
dummy.c
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/* program to generate dummy data set */
/* Mike Uttormark 7/16/92 */
/* Sandia Nat'l Labs 1421 */
/* On leave from University of Wisconsin--Madison */
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
#define RANGE 5.0
#define STEPS 2000
#define PI 3.14159
#define S 50
#ifdef MISSINGDEFS
int printf(char *, ...);
#endif
int main(int argc, char **argv);
int main(int argc, char **argv)
{
int i, j, step, npart;
int nsteps;
if (argc < 2)
nsteps = STEPS;
else
nsteps = atoi(argv[1]);
if (argc < 3)
npart = 1;
else
npart = atoi(argv[2]);
for(step = 0; step < nsteps; step++) {
printf("ITEM: TIME\n%g\n", (float) step);
if (step == 0) {
printf("ITEM: BOUNDS\n");
for (i = 3; i; i--)
printf("%g, %g\n", -RANGE, RANGE);
}
printf("ITEM: POSITIONS\n");
for( j = 0; j < npart; j++)
printf("%i, %i, %g, %g, %g\n",
j+1,
1 + j%4,
RANGE*sin(2*PI*(step+j)/S),
RANGE*cos(0.25*PI*(step+j)/S),
RANGE*sin(5*PI*(step+j)/S));
if (npart > 1) {
printf("ITEM: BONDS\n");
for ( j = 0; j < npart-1; j++)
printf("%i %i %i\n", 1 + j%4, j+1, j+2);
}
}
}
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