27 |
|
if(worldRank == 0 ){ |
28 |
|
#endif // is_mpi |
29 |
|
|
30 |
– |
|
31 |
– |
|
30 |
|
strcpy( outName, entry_plug->sampleName ); |
31 |
|
|
32 |
|
outFile.open(outName, ios::out | ios::trunc ); |
39 |
|
painCave.isFatal = 1; |
40 |
|
simError(); |
41 |
|
} |
42 |
< |
|
42 |
> |
|
43 |
|
//outFile.setf( ios::scientific ); |
44 |
|
|
45 |
|
#ifdef IS_MPI |
70 |
|
char tempBuffer[BUFFERSIZE]; |
71 |
|
char writeLine[BUFFERSIZE]; |
72 |
|
|
73 |
< |
int i, j, which_node, done, game_over, which_atom, local_index; |
73 |
> |
int i, j, which_node, done, which_atom, local_index; |
74 |
|
double q[4]; |
75 |
|
DirectionalAtom* dAtom; |
76 |
|
int nAtoms = entry_plug->n_atoms; |