VelocityVerletStep.c File Reference

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

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Functions
void	VelocityVerletStep (int icode)

Function Documentation

VelocityVerletStep()

void VelocityVerletStep

(

int

icode

)

Definition at line 26 of file VelocityVerletStep.c.

                                  {
int n;
double atomMassi;
   
 if(icode == 1){
 for (n= 1; n <= nAtom; n++) {
  if(atomType[n] != freezeAtomType){
  atomMassi = 1./atomMass[n];
  ax[n] = fx[n] * atomMassi;    ay[n] = fy[n] * atomMassi;    
  vx[n] += ax[n] * 0.5 * deltaT; 
  vy[n] += ay[n] * 0.5 * deltaT;
  rx[n] += vx[n] * deltaT; 
  ry[n] += vy[n] * deltaT;
  } 
  //Calculating the image flags here
  if (rx[n] >= regionH[1]) {
   rx[n] -= region[1];
   ImageX[n]++;
   } else if (rx[n] < -regionH[1]) {
   rx[n] += region[1];
  ImageX[n]--;
  }
  if (ry[n] >= regionH[2]) {
   ry[n] -= region[2];
   ImageY[n]++;
   } else if (ry[n] < -regionH[2]) {
   ry[n] += region[2];
   ImageY[n]--;
   } } }
  else if(icode == 2){
  for(n = 1; n <= nAtom; n++) {
  if(atomType[n] != freezeAtomType){
   atomMassi = 1./atomMass[n];
   ax[n] = fx[n] * atomMassi;    ay[n] = fy[n] * atomMassi;    
   vx[n] += ax[n] * 0.5 * deltaT; 
   vy[n] += ay[n] * 0.5 * deltaT;
} } } }

References atomMass, atomType, ax, ay, deltaT, freezeAtomType, fx, fy, ImageX, ImageY, nAtom, region, regionH, rx, ry, vx, and vy.

Referenced by main().

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