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root/group/trunk/madProps/GofR.c
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Comparing trunk/madProps/GofR.c (file contents):
Revision 46 by mmeineke, Tue Jul 23 20:10:49 2002 UTC vs.
Revision 82 by mmeineke, Fri Aug 16 04:05:45 2002 UTC

# Line 12 | Line 12 | void GofR( char* out_prefix, char* atom1, char* atom2,
12   // constant boxSize
13  
14   void GofR( char* out_prefix, char* atom1, char* atom2,
15 <           struct xyz_frame* frames, int nFrames ){
15 >           struct xyz_frame* frames, int nFrames,
16 >           int startFrame, int endFrame ){
17  
18    int i,j,k;
19  
# Line 134 | Line 135 | void GofR( char* out_prefix, char* atom1, char* atom2,
135      
136      // calculate the histogram
137  
138 <    for( i=0; i<nFrames; i++){
138 >    for( i=startFrame; i<endFrame; i++){
139        for( j=0; j<(frames[i].nAtoms-1); j++ ){
140          
141          if( !strcmp( frames[0].names[j], atom1 ) ){
# Line 252 | Line 253 | void GofR( char* out_prefix, char* atom1, char* atom2,
253      
254      // calculate the histogram
255  
256 <    for( i=0; i<nFrames; i++){
256 >    for( i=startFrame; i<endFrame; i++){
257        for( j=0; j<(frames[i].nAtoms-1); j++ ){
258          
259          if( !strcmp( frames[0].names[j], allAtom ) ){
# Line 348 | Line 349 | void GofR( char* out_prefix, char* atom1, char* atom2,
349      
350      // calculate the histogram
351  
352 <    for( i=0; i<nFrames; i++){
352 >    for( i=startFrame; i<endFrame; i++){
353        for( j=0; j<(frames[i].nAtoms-1); j++ ){
354          
355          rxj = frames[i].r[j].x;

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