DumpBonds.c File Reference

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

Include dependency graph for DumpBonds.c:

Go to the source code of this file.

Functions
void	DumpBonds ()

Function Documentation

DumpBonds()

void DumpBonds

(

)

Definition at line 24 of file DumpBonds.c.

                {
  int n;
  //Trajectory file in LAMMPS dump format for OVITO visualization
  fprintf(fpbond, "ITEM: TIMESTEP\n");
  fprintf(fpbond, "%lf\n",timeNow);
  fprintf(fpbond, "ITEM: NUMBER OF ENTRIES\n");
  fprintf(fpbond, "%d\n",nBond);
  fprintf(fpbond, "ITEM: BOX BOUNDS pp ff pp\n");
  fprintf(fpbond, "%lf %lf xlo xhi\n", -regionH[1], regionH[1]);
  fprintf(fpbond, "%lf %lf ylo yhi\n", -regionH[2], regionH[2]);
  fprintf(fpbond, "%lf %lf zlo zhi\n", -0.1, 0.1);
  fprintf(fpbond, "ITEM: ENTRIES BondID, BondType, atom1 atom2 BondLength BondLengthEqul nodeDragx1 nodeDragy1\n");
 
  for(n=1; n<=nBond; n++)
   fprintf(fpbond, "%d %d %d %d %0.16lf %0.16lf %0.16lf %0.16lf\n", BondID[n], BondType[n], atom1[n], atom2[n], 
   BondLength[n], ro[n], nodeDragx[atom1[n]], nodeDragy[atom1[n]]);
  }

References atom1, atom2, BondID, BondLength, BondType, fpbond, nBond, nodeDragx, nodeDragy, regionH, ro, and timeNow.

Referenced by main().

Here is the caller graph for this function: