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root/group/trunk/OOPSE/libmdtools/NPTi.cpp
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Comparing trunk/OOPSE/libmdtools/NPTi.cpp (file contents):
Revision 611 by gezelter, Tue Jul 15 17:10:50 2003 UTC vs.
Revision 614 by mmeineke, Tue Jul 15 17:57:04 2003 UTC

# Line 132 | Line 132 | void NPTi::moveA() {
132    
133    scaleFactor = exp(dt*eta);
134  
135 <  if (scaleFactor > 1.1 || scaleFactor < 0.9) {
135 >  if ((scaleFactor > 1.1) || (scaleFactor < 0.9)) {
136      sprintf( painCave.errMsg,
137               "NPTi error: Attempting a Box scaling of more than 10 percent"
138               " check your tauBarostat, as it is probably too small!\n"
# Line 143 | Line 143 | void NPTi::moveA() {
143    } else {        
144      info->scaleBox(exp(dt*eta));      
145    }
146 +
147   }
148  
149   void NPTi::moveB( void ){

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