| 10 |
|
#include "fortranWrappers.hpp" |
| 11 |
|
#include "randomSPRNG.hpp" |
| 12 |
|
|
| 13 |
– |
#define BASE_SEED 123456789 |
| 14 |
– |
|
| 13 |
|
mpiSimulation* mpiSim; |
| 14 |
|
|
| 15 |
|
mpiSimulation::mpiSimulation(SimInfo* the_entryPlug) |
| 57 |
|
int old_atoms, add_atoms, new_atoms; |
| 58 |
|
|
| 59 |
|
int nTarget; |
| 60 |
< |
int molIndex, atomIndex, compIndex, compStart; |
| 60 |
> |
int molIndex, atomIndex; |
| 61 |
|
int done; |
| 64 |
– |
int nLocal, molLocal; |
| 62 |
|
int i, j, loops, which_proc, nmol_local, natoms_local; |
| 63 |
|
int nmol_global, natoms_global; |
| 64 |
< |
int local_index, index; |
| 68 |
< |
int smallDiff, bigDiff; |
| 64 |
> |
int local_index; |
| 65 |
|
int baseSeed = entryPlug->getSeed(); |
| 66 |
|
|
| 71 |
– |
int testSum; |
| 72 |
– |
|
| 67 |
|
nComponents = entryPlug->nComponents; |
| 68 |
|
compStamps = entryPlug->compStamps; |
| 69 |
|
componentsNmol = entryPlug->componentsNmol; |