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root/group/trunk/OOPSE/libmdtools/SimInfo.cpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.cpp (file contents):
Revision 572 by mmeineke, Wed Jul 2 21:26:55 2003 UTC vs.
Revision 574 by gezelter, Tue Jul 8 20:56:10 2003 UTC

# Line 170 | Line 170 | void SimInfo::getBoxM (double theBox[9]) {
170    int i;
171    for(i=0; i<9; i++) theBox[i] = Hmat[i];
172   }
173 <
173 >
174 >
175 > void SimInfo::scaleBox(double scale) {
176 >  double theBox[9];
177 >  int i;
178 >
179 >  for(i=0; i<9; i++) theBox[i] = Hmat[i]*scale;
180  
181 +  setBoxM(theBox);
182 +
183 + }
184 +
185   void SimInfo::calcHmatI( void ) {
186  
187    double C[3][3];

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