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root/group/trunk/OOPSE/libmdtools/Atom.cpp
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Comparing trunk/OOPSE/libmdtools/Atom.cpp (file contents):
Revision 1136 by tim, Tue Apr 27 16:26:44 2004 UTC vs.
Revision 1167 by tim, Wed May 12 16:38:45 2004 UTC

# Line 48 | Line 48 | void Atom::setCoords(void){
48                       &trq,
49                       &Amat,
50                       &mu,  
51 <                     &ul,
52 <                     &rc,
53 <                     &massRatio);
51 >                     &ul);
52    }
53    else{
54      sprintf( painCave.errMsg,
# Line 185 | Line 183 | void Atom::zeroForces( void ){
183    }
184   }
185  
188 – void Atom::getRc(double theRc[3]){
189 –
190 –  if( hasCoords ){
191 –    theRc[0] = rc[offsetX];
192 –    theRc[1] = rc[offsetY];
193 –    theRc[2] = rc[offsetZ];
194 –  }
195 –  else{
196 –    
197 –    sprintf( painCave.errMsg,
198 –             "Attempt to get rc for atom %d before coords set.\n",
199 –             index );
200 –    painCave.isFatal = 1;
201 –    simError();
202 –  }
203 –  
204 – }
205 –
206 – void Atom::setRc(double theRc[3]){
207 –  if( hasCoords ){
208 –    rc[offsetX] = theRc[0] ;
209 –    rc[offsetY] = theRc[1];
210 –    rc[offsetZ] = theRc[2];
211 –  }
212 –  else{
213 –    
214 –    sprintf( painCave.errMsg,
215 –             "Attempt to set rc for atom %d before coords set.\n",
216 –             index );
217 –    painCave.isFatal = 1;
218 –  }
219 – }

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