ApplyLeesEdwardsBoundaryCond.c File Reference

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

Include dependency graph for ApplyLeesEdwardsBoundaryCond.c:

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Functions
void	ApplyLeesEdwardsBoundaryCond ()

Function Documentation

ApplyLeesEdwardsBoundaryCond()

void ApplyLeesEdwardsBoundaryCond

(

)

Definition at line 25 of file ApplyLeesEdwardsBoundaryCond.c.

                                    {
 int n;
 for (n = 1; n <= nAtom; n++) {
//PBC along x-direction
 if(rx[n] >= regionH[1])
   rx[n] -= region[1];
 else if(rx[n] < -regionH[1])
   rx[n] += region[1];
   
//LEBC along y-direction
  if(ry[n] >= regionH[2]){
   rx[n] -= shearDisplacement;
   if(rx[n] < -regionH[1]) rx[n] += region[1];
   //vx[n] -= shearVelocity; 
   ry[n] -= region[2];
  }else if(ry[n] < -regionH[2]){
   rx[n] += shearDisplacement;
   if(rx[n] >= regionH[1]) rx[n] -= region[1];
   //vx[n] += shearVelocity; 
   ry[n] += region[2];
  }
 } 
}

References nAtom, region, regionH, rx, ry, and shearDisplacement.