--- trunk/madProps/cosCorr.c 2002/07/23 20:10:49 46 +++ trunk/madProps/cosCorr.c 2002/08/29 17:21:54 103 @@ -6,17 +6,12 @@ void cosCorr( char* out_prefix, char* atom1, char* ato #include "cosCorr.h" void cosCorr( char* out_prefix, char* atom1, char* atom2, - struct xyz_frame* frames, int nFrames ){ + struct xyz_frame* frames, int nFrames, + int startFrame, int endFrame ){ int i,j,k; - - double atom1Dens; - double atom2Dens; - - double atom1Constant; - double atom2Constant; - + double nAtom1; double nAtom2; @@ -91,18 +86,10 @@ void cosCorr( char* out_prefix, char* atom1, char* ato atom2 ); exit(8); } - - // calculate some of the constants; - - atom1Dens = nAtom1 / boxVol; - atom2Dens = nAtom2 / boxVol; - - atom1Constant = ( 4.0 * M_PI * atom1Dens ) / 3.0; - atom2Constant = ( 4.0 * M_PI * atom2Dens ) / 3.0; - + // calculate the histogram - for( i=0; i