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root/group/trunk/OOPSE/src/oopse.cpp
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Comparing trunk/OOPSE/src/oopse.cpp (file contents):
Revision 892 by chuckv, Mon Dec 22 21:27:04 2003 UTC vs.
Revision 1173 by gezelter, Wed May 12 20:14:21 2004 UTC

# Line 17 | Line 17
17   #include "Integrator.hpp"
18   #include "Thermo.hpp"
19   #include "ReadWrite.hpp"
20 + #include "OOPSEMinimizer.hpp"
21  
22   char* program_name;
23   using namespace std;
# Line 26 | Line 27 | int main(int argc,char* argv[]){
27    char* in_name;
28    SimSetup* startMe;
29    SimInfo* entry_plug;
30 <
30 <  
30 >  
31    // first things first, all of the initializations
32  
33    MPI_Init( &argc, &argv ); // the MPI communicators
# Line 44 | Line 44 | int main(int argc,char* argv[]){
44    program_name = argv[0]; // save the program name in case we need it
45    
46    if( worldRank == 0 ){
47 +    std::cerr <<
48 +      "+--------------------------------------------------------------------+\n" <<
49 +      "|    ____  ____  ____  _____ ______  The OpenSource, Object-oriented |\n" <<
50 +      "|   / __ \\/ __ \\/ __ \\/ ___// ____/  Parallel Simulation Engine.     |\n" <<
51 +      "|  / / / / / / / /_/ /\\__ \\/ __/                                     |\n" <<
52 +      "| / /_/ / /_/ / ____/___/ / /___     Copyright 2004 by the           |\n" <<
53 +      "| \\____/\\____/_/    /____/_____/     University of Notre Dame.       |\n" <<
54 +      "|                                    http://maul.chem.nd.edu/OOPSE   |\n" <<
55 +      "+--------------------------------------------------------------------+\n" <<
56 +      "\n";
57 +
58      if( argc < 2 ){
59        strcpy( painCave.errMsg, "Error, bass file is needed to run.\n" );
60        painCave.isFatal = 1;
# Line 55 | Line 66 | int main(int argc,char* argv[]){
66  
67    strcpy( checkPointMsg, "Successful number of arguments" );
68    MPIcheckPoint();
69 <  
59 <  
69 >    
70    // create the simulation objects, and get the show on the road
71      
72    entry_plug = new SimInfo;
# Line 72 | Line 82 | int main(int argc,char* argv[]){
82  
83    delete startMe;
84  
85 +  if (!entry_plug->has_minimizer)
86 +    entry_plug->the_integrator->integrate();
87 +  else
88 +    entry_plug->the_minimizer->minimize();
89    
76 –  entry_plug->the_integrator->integrate();
77 –  
90   #ifdef PROFILE
91    writeProfiles();
92   #endif //profile

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