1 |
#ifndef IS_MPI |
2 |
#include <iostream> |
3 |
#include <fstream> |
4 |
#include <cstdlib> |
5 |
#include <cmath> |
6 |
#include <cstring> |
7 |
|
8 |
#include "simError.h" |
9 |
#include "SimSetup.hpp" |
10 |
#include "SimInfo.hpp" |
11 |
#include "Atom.hpp" |
12 |
#include "Integrator.hpp" |
13 |
#include "Thermo.hpp" |
14 |
#include "ReadWrite.hpp" |
15 |
|
16 |
char* program_name; |
17 |
using namespace std; |
18 |
|
19 |
int main(int argc,char* argv[]){ |
20 |
|
21 |
char* in_name; |
22 |
SimSetup* startMe; |
23 |
SimInfo* entry_plug; |
24 |
|
25 |
|
26 |
// first things first, all of the initializations |
27 |
|
28 |
printf("Initializing stuff ....\n"); |
29 |
srand48( 1337 ); // the random number generator. |
30 |
initSimError(); // the error handler |
31 |
|
32 |
program_name = argv[0]; /*save the program name in case we need it*/ |
33 |
if( argc < 2 ){ |
34 |
sprintf( painCave.errMsg, |
35 |
"Error, bass file is needed to run.\n" ); |
36 |
painCave.isFatal = 1; |
37 |
simError(); |
38 |
} |
39 |
|
40 |
|
41 |
in_name = argv[1]; |
42 |
entry_plug = new SimInfo(); |
43 |
|
44 |
startMe = new SimSetup(); |
45 |
startMe->setSimInfo( entry_plug ); |
46 |
startMe->parseFile( in_name ); |
47 |
startMe->createSim(); |
48 |
|
49 |
delete startMe; |
50 |
|
51 |
entry_plug->the_integrator->integrate(); |
52 |
|
53 |
return 0 ; |
54 |
} |
55 |
|
56 |
#endif |