# | Line 6 | Line 6 | void cosCorr( char* out_prefix, char* atom1, char* ato | |
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6 | #include "cosCorr.h" | |
7 | ||
8 | void cosCorr( char* out_prefix, char* atom1, char* atom2, | |
9 | < | struct xyz_frame* frames, int nFrames ){ |
9 | > | struct xyz_frame* frames, int nFrames, |
10 | > | int startFrame, int endFrame ){ |
11 | ||
12 | ||
13 | int i,j,k; | |
# | Line 102 | Line 103 | void cosCorr( char* out_prefix, char* atom1, char* ato | |
103 | ||
104 | // calculate the histogram | |
105 | ||
106 | < | for( i=0; i<nFrames; i++){ |
106 | > | for( i=startFrame; i<endFrame; i++){ |
107 | for( j=0; j<(frames[i].nAtoms-1); j++ ){ | |
108 | ||
109 | if( !strcmp( frames[0].names[j], atom1 ) ){ |
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