| # | Line 6 | Line 6 | void cosCorr( char* out_prefix, char* atom1, char* ato | |
|---|---|---|
| 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 ) ){ | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |