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root/group/branches/new_design/OOPSE-3.0/src/integrators/NPTf.cpp
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Comparing branches/new_design/OOPSE-3.0/src/integrators/NPTf.cpp (file contents):
Revision 1867 by tim, Tue Dec 7 23:08:14 2004 UTC vs.
Revision 1883 by tim, Mon Dec 13 22:30:27 2004 UTC

# Line 8 | Line 8 | static IntegratorBuilder<NPTf>* NPTfCreator = new Inte
8  
9   namespace oopse {
10  
11 – static IntegratorBuilder<NPTf>* NPTfCreator = new IntegratorBuilder<NPTf>("NPTf");
12 –
11   // Basic non-isotropic thermostating and barostating via the Melchionna
12   // modification of the Hoover algorithm:
13   //
# Line 250 | Line 248 | void NPTf::loadEta() {
248   void NPTf::loadEta() {
249      eta= currentSnapshot_->getEta();
250  
251 <    if (!eta.isDiagonal()) {
252 <        sprintf( painCave.errMsg,
253 <                 "NPTi error: the diagonal elements of are eta matrix is not same or etaMat is not a diagonal matrix");
254 <        painCave.isFatal = 1;
255 <        simError();
256 <    }
251 >    //if (!eta.isDiagonal()) {
252 >    //    sprintf( painCave.errMsg,
253 >    //             "NPTf error: the diagonal elements of eta matrix are not the same or etaMat is not a diagonal matrix");
254 >    //    painCave.isFatal = 1;
255 >    //    simError();
256 >    //}
257   }
258  
259   void NPTf::saveEta() {

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