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 |
|
|
41 |
|
int natomsRow,natomsCol; |
42 |
|
int numberCols,numberRows; |
43 |
|
int nmolsRow,nmolsCol,nmolsLocal; |
37 |
– |
|
44 |
|
|
45 |
+ |
|
46 |
+ |
int simTotAtoms, simTotBonds, simTotBends, simTotTorsions; |
47 |
+ |
int simTotSRI, simTotNmol; |
48 |
+ |
|
49 |
|
}; |
50 |
|
|
51 |
|
|