DumpPairs.c File Reference

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

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Functions
void	DumpPairs ()

Function Documentation

DumpPairs()

void DumpPairs

(

)

Definition at line 25 of file DumpPairs.c.

                {
  int n;
  //Trajectory file in LAMMPS dump format for OVITO visualization
  fprintf(fppair, "ITEM: TIMESTEP\n");
  fprintf(fppair, "%lf\n",timeNow);
  fprintf(fppair, "ITEM: NUMBER OF ENTRIES\n");
  fprintf(fppair, "%d\n",nPairActive);
  fprintf(fppair, "ITEM: BOX BOUNDS pp ff pp\n");
  fprintf(fppair, "%lf %lf xlo xhi\n", -regionH[1], regionH[1]);
  fprintf(fppair, "%lf %lf ylo yhi\n", -regionH[2], regionH[2]);
  fprintf(fppair, "%lf %lf zlo zhi\n", -0.1, 0.1);
  fprintf(fppair, "ITEM: ENTRIES index, atom1 atom2 xij yij discDragx1 discDragy1\n");
 
  for(n=1; n<=nPairActive; n++)
   fprintf(fppair, "%d %d %d %0.16lf %0.16lf %0.16lf %0.16lf\n", PairID[n], Pairatom1[n], Pairatom2[n], 
   PairXij[n], PairYij[n], discDragx[n], discDragy[n]);
 
  }

References discDragx, discDragy, fppair, nPairActive, Pairatom1, Pairatom2, PairID, PairXij, PairYij, regionH, and timeNow.

Referenced by main().

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