| 10 |
|
mpiSimulation(SimInfo* the_entryPlug); |
| 11 |
|
~mpiSimulation(); |
| 12 |
|
|
| 13 |
< |
void divideLabor(int nComponents, MoleculeStamp** compStamps, int* componentsNmol ); |
| 13 |
> |
void divideLabor( void ); |
| 14 |
|
|
| 15 |
< |
int getMyNode(void) {return myNode;} |
| 15 |
> |
int getMyNode(void) { return myNode; } |
| 16 |
> |
int getMyMolStart( void ) { return myMolStart; } |
| 17 |
> |
int getMyMolEnd( void ) { return myMlEnd; } |
| 18 |
> |
int getMyMol( void ) { return myMol; } |
| 19 |
> |
int getMyAtomStart( void ) { return myAtomStart; } |
| 20 |
> |
int getMyAtomEnd( void ) { return myAtomEnd; } |
| 21 |
> |
int getMyNlocal( void ) { return myNlocal; } |
| 22 |
> |
|
| 23 |
> |
int getTotAtoms( void ) { return simTotAtoms; } |
| 24 |
|
|
| 17 |
– |
|
| 25 |
|
|
| 26 |
|
private: |
| 27 |
|
|
| 33 |
|
int myAtomStart, myAtomEnd; |
| 34 |
|
int myMol; |
| 35 |
|
int myNlocal; |
| 36 |
+ |
int *myIdents; |
| 37 |
|
int numberProcessors; |
| 38 |
|
int myNode; |
| 39 |
|
// int processorNameLen; |
| 41 |
|
int natomsRow,natomsCol; |
| 42 |
|
int numberCols,numberRows; |
| 43 |
|
int nmolsRow,nmolsCol,nmolsLocal; |
| 36 |
– |
|
| 44 |
|
|
| 45 |
+ |
|
| 46 |
+ |
int simTotAtoms, simTotBonds, simTotBends, simTotTorsions; |
| 47 |
+ |
int simTotSRI, simTotNmol; |
| 48 |
+ |
|
| 49 |
|
}; |
| 50 |
|
|
| 51 |
|
|