OOPSE/props/GofR.cpp

#include <cstring>
#include <cmath>

#include "PairCorrType.hpp"


GofR::GofR( char* key1, char* key2, int theNatoms ):
  PairCorrType(  key1, key2, theNatoms )
{
  int i;
  
  strcpy( corrType, "GofR" );
  
  for(i=0;i<N_BINS;i++){
    currHist[i] = 0;
    currGofR[i] = 0.0;
    avgGofR[i]  = 0.0;
  }
    
}


void GofR::correlate( double[3] Rij, double dist, 
                      double[3] uHatI, double[3] uHatJ ){
  int bin;
  
  bin = (int)( dist / delR );
  if( bin < N_BINS )currHist[bin] += 2;
}
Revision:	758
Committed:	Wed Sep 10 21:28:33 2003 UTC (22 years, 1 month ago) by mmeineke
File size:	495 byte(s)
Log Message:	added more work on getting gofR working.
#	Content
1	#include <cstring>
2	#include <cmath>
3
4	#include "PairCorrType.hpp"
5
6
7	GofR::GofR( char* key1, char* key2, int theNatoms ):
8	PairCorrType( key1, key2, theNatoms )
9	{
10	int i;
11
12	strcpy( corrType, "GofR" );
13
14	for(i=0;i<N_BINS;i++){
15	currHist[i] = 0;
16	currGofR[i] = 0.0;
17	avgGofR[i] = 0.0;
18	}
19
20	}
21
22
23
24	void GofR::correlate( double[3] Rij, double dist,
25	double[3] uHatI, double[3] uHatJ ){
26	int bin;
27
28	bin = (int)( dist / delR );
29	if( bin < N_BINS )currHist[bin] += 2;
30	}