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#include <cmath> |
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#include <cstring> |
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|
| 7 |
+ |
#include "simError.h" |
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#include "SimSetup.hpp" |
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#include "SimInfo.hpp" |
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#include "Atom.hpp" |
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#include "Integrator.hpp" |
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#include "Thermo.hpp" |
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+ |
#include "ReadWrite.hpp" |
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|
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– |
#include "../../inc/SimSetup.hpp" |
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– |
#include "../../inc/SimInfo.hpp" |
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– |
#include "../../inc/Atom.hpp" |
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– |
#include "../../inc/Integrator.hpp" |
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– |
#include "../../inc/Thermo.hpp" |
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#include "../../inc/ReadWrite.hpp" |
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– |
|
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char* program_name; |
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using namespace std; |
| 17 |
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|
| 36 |
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int n_LRI; |
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int n_exclude; |
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| 39 |
+ |
// first things first, all of the initializations |
| 40 |
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| 41 |
< |
srand48( 1337 ); // initialize the random number generator. |
| 42 |
< |
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| 41 |
> |
srand48( 1337 ); // the random number generator. |
| 42 |
> |
initSimError(); // the error handler |
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program_name = argv[0]; /*save the program name in case we need it*/ |
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if( argc < 2 ){ |
| 46 |
< |
cerr<< "Error, bass file is needed to run.\n"; |
| 47 |
< |
exit(8); |
| 46 |
> |
sprintf( painCave.errMsg, |
| 47 |
> |
"Error, bass file is needed to run.\n" ); |
| 48 |
> |
painCave.isFatal = 1; |
| 49 |
> |
simError(); |
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} |
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