Trajectory.c File Reference

#include <stdio.h>
#include "global.h"

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Functions
void	Trajectory ()

Function Documentation

Trajectory()

void Trajectory

(

)

Definition at line 25 of file Trajectory.c.

                 {
 int n;
 //Trajectory file in LAMMPS dump format for OVITO visualization
 fprintf(fpxyz, "ITEM: TIMESTEP\n");
 fprintf(fpxyz, "%lf\n",timeNow);
 fprintf(fpxyz, "ITEM: NUMBER OF ATOMS\n");
 fprintf(fpxyz, "%d\n",nAtom);
 fprintf(fpxyz, "ITEM: BOX BOUNDS pp ff pp\n");
 fprintf(fpxyz, "%lf %lf xlo xhi\n", -regionH[1], regionH[1]);
 fprintf(fpxyz, "%lf %lf ylo yhi\n", -regionH[2], regionH[2]);
 fprintf(fpxyz, "%lf %lf zlo zhi\n", -0.1, 0.1);
 fprintf(fpxyz, "ITEM: ATOMS id mol type radius x y vx vy fx fy\n");
 for(n=1; n<=nAtom; n++)
  fprintf(fpxyz, "%d\t %d\t %d\t %0.2lf\t %0.16lf\t %0.16lf\t %0.16lf\t %0.16lf\t %0.16lf\t %0.16lf\n", 
  atomID[n], molID[n], atomType[n], atomRadius[n], rx[n], ry[n], vx[n], vy[n], fx[n], fy[n]);
}

References atomID, atomRadius, atomType, fpxyz, fx, fy, molID, nAtom, regionH, rx, ry, timeNow, vx, and vy.

Referenced by main().

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