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root/OpenMD/branches/development/src/applications/openmd/openmd.cpp
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Comparing:
trunk/src/applications/openmd/openmd.cpp (file contents), Revision 1461 by gezelter, Wed Jul 7 15:54:25 2010 UTC vs.
branches/development/src/applications/openmd/openmd.cpp (file contents), Revision 1587 by gezelter, Fri Jul 8 20:25:32 2011 UTC

# Line 56 | Line 56
56   #include "minimizers/MinimizerFactory.hpp"
57   #include "minimizers/Minimizer.hpp"
58   #include "restraints/ThermoIntegrationForceManager.hpp"
59 + #include "utils/Report.hpp"
60 + #include "utils/Exception.hpp"
61  
62   using namespace OpenMD;
63  
# Line 70 | Line 72 | int main(int argc,char* argv[]){
72    initSimError();           // the error handler
73    srand48( 1337 );          // the random number generator.
74  
75 <  std::string revision;
75 >  std::string svnrev;
76    //convert a macro from compiler to a string in c++
77 <  STR_DEFINE(revision, SVN_REV );
76 <  revision.resize(8,' ');
77 >  STR_DEFINE(svnrev, SVN_REV );
78  
79 +  std::string revision;
80 +
81 +  if (!svnrev.empty()) {
82 +     revision.assign("  Revision: " + svnrev);
83 +  }
84 +
85 +  revision.resize(19,' ');
86 +
87   #ifdef IS_MPI
88    if( worldRank == 0 ){
89   #endif
# Line 88 | Line 97 | int main(int argc,char* argv[]){
97        "  |     /_/                                   University of Notre Dame.   |\n"<<
98        "  |                                                                       |\n"<<
99        "  |        version " <<
100 <      OPENMD_VERSION_MAJOR << "." << OPENMD_VERSION_MINOR << "  Revision:" << revision <<
100 >      OPENMD_VERSION_MAJOR << "." << OPENMD_VERSION_MINOR << revision <<
101        "     http://www.openmd.net       |\n"<<
102        "  |                                                                       |\n"<<
103        "  | OpenMD is an OpenScience project.  All source code is available for   |\n"<<
# Line 123 | Line 132 | int main(int argc,char* argv[]){
132    //create simulation model
133    SimCreator creator;
134    SimInfo* info = creator.createSim(argv[1]);
135 +
136    Globals* simParams = info->getSimParams();
137  
138    if (simParams->haveMinimizer() && simParams->haveEnsemble()) {
# Line 130 | Line 140 | int main(int argc,char* argv[]){
140      painCave.isFatal = 1;
141      simError();        
142    }
143 <    
143 >  
144 >
145    if (simParams->haveMinimizer()) {
146      //create minimizer
147      Minimizer* myMinimizer = MinimizerFactory::getInstance()->createMinimizer(toUpperCopy(simParams->getMinimizer()), info);

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