| 10 |
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#include "fortranWrappers.hpp" |
| 11 |
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#include "randomSPRNG.hpp" |
| 12 |
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|
| 13 |
– |
#define BASE_SEED 123456789 |
| 14 |
– |
|
| 13 |
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mpiSimulation* mpiSim; |
| 14 |
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|
| 15 |
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mpiSimulation::mpiSimulation(SimInfo* the_entryPlug) |
| 57 |
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int old_atoms, add_atoms, new_atoms; |
| 58 |
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|
| 59 |
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int nTarget; |
| 60 |
< |
int molIndex, atomIndex, compIndex, compStart; |
| 60 |
> |
int molIndex, atomIndex; |
| 61 |
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int done; |
| 64 |
– |
int nLocal, molLocal; |
| 62 |
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int i, j, loops, which_proc, nmol_local, natoms_local; |
| 63 |
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int nmol_global, natoms_global; |
| 64 |
< |
int local_index, index; |
| 65 |
< |
int smallDiff, bigDiff; |
| 69 |
< |
int baseSeed = BASE_SEED; |
| 70 |
< |
|
| 71 |
< |
int testSum; |
| 64 |
> |
int local_index; |
| 65 |
> |
int baseSeed = entryPlug->getSeed(); |
| 66 |
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|
| 67 |
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nComponents = entryPlug->nComponents; |
| 68 |
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compStamps = entryPlug->compStamps; |
| 76 |
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mpiPlug->nSRIGlobal = entryPlug->n_SRI; |
| 77 |
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mpiPlug->nMolGlobal = entryPlug->n_mol; |
| 78 |
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|
| 79 |
+ |
|
| 80 |
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myRandom = new randomSPRNG( baseSeed ); |
| 81 |
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|
| 82 |
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a = 3.0 * (double)mpiPlug->nMolGlobal / (double)mpiPlug->nAtomsGlobal; |