# | Line 7 | Line 7 | GofR::GofR( char* key1, char* key2, int theNatoms ): | |
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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 | < | |
29 | < | |
28 | > | bin = (int)( dist / delR ); |
29 | > | if( bin < N_BINS )currHist[bin] += 2; |
30 | } |
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