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root/group/trunk/OOPSE/libmdtools/NPTf.cpp
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Comparing trunk/OOPSE/libmdtools/NPTf.cpp (file contents):
Revision 645 by tim, Tue Jul 22 19:54:52 2003 UTC vs.
Revision 746 by mmeineke, Thu Sep 4 21:48:35 2003 UTC

# Line 310 | Line 310 | template<typename T> int NPTf<T>::readyCheck() {
310    }
311   }
312  
313 + template<typename T> void NPTf<T>::resetIntegrator() {
314 +  int i,j;
315 +  
316 +  chi = 0.0;
317 +
318 +  for(i = 0; i < 3; i++)
319 +    for (j = 0; j < 3; j++)
320 +      eta[i][j] = 0.0;
321 +
322 + }
323 +
324   template<typename T> int NPTf<T>::readyCheck() {
325 +
326 +  //check parent's readyCheck() first
327 +  if (T::readyCheck() == -1)
328 +    return -1;
329  
330    // First check to see if we have a target temperature.
331    // Not having one is fatal.

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