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root/group/trunk/OOPSE/libmdtools/NPT.cpp
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Comparing trunk/OOPSE/libmdtools/NPT.cpp (file contents):
Revision 1252 by tim, Fri Jun 4 03:15:31 2004 UTC vs.
Revision 1253 by gezelter, Tue Jun 8 16:49:46 2004 UTC

# Line 321 | Line 321 | template<typename T> int NPT<T>::readyCheck() {
321  
322    if (!have_tau_barostat) {
323      sprintf( painCave.errMsg,
324 <             "NPT error: If you use the NPT\n"
325 <             "   integrator, you must set tauBarostat.\n");
324 >             "If you use the NPT integrator, you must set tauBarostat.\n");
325 >    painCave.severity = OOPSE_ERROR;
326      painCave.isFatal = 1;
327      simError();
328      return -1;
# Line 330 | Line 330 | template<typename T> int NPT<T>::readyCheck() {
330  
331    if (!have_chi_tolerance) {
332      sprintf( painCave.errMsg,
333 <             "NPT warning: setting chi tolerance to 1e-6\n");
333 >             "Setting chi tolerance to 1e-6 in NPT integrator\n");
334      chiTolerance = 1e-6;
335      have_chi_tolerance = 1;
336 +    painCave.severity = OOPSE_INFO;
337      painCave.isFatal = 0;
338      simError();
339    }
340  
341    if (!have_eta_tolerance) {
342      sprintf( painCave.errMsg,
343 <             "NPT warning: setting eta tolerance to 1e-6\n");
343 >             "Setting eta tolerance to 1e-6 in NPT integrator");
344      etaTolerance = 1e-6;
345      have_eta_tolerance = 1;
346 +    painCave.severity = OOPSE_INFO;
347      painCave.isFatal = 0;
348      simError();
349    }

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