| # | Line 20 | Line 20 | class SimSetup{ (public) | |
|---|---|---|
| 20 | void parseFile( char* fileName ); | |
| 21 | void createSim( void ); | |
| 22 | ||
| 23 | – | private: |
| 23 | ||
| 24 | + | #ifdef IS_MPI |
| 25 | + | void testMe(void); |
| 26 | + | #endif |
| 27 | + | |
| 28 | + | |
| 29 | + | private: |
| 30 | + | |
| 31 | + | #ifdef IS_MPI |
| 32 | + | void receiveParse(void); |
| 33 | + | #endif |
| 34 | + | |
| 35 | void makeAtoms( void ); | |
| 36 | void makeBonds( void ); | |
| 37 | void makeBends( void ); | |
| # | Line 33 | Line 43 | class SimSetup{ (public) | |
| 43 | MakeStamps* stamps; | |
| 44 | Globals* globals; | |
| 45 | char* inFileName; | |
| 46 | < | |
| 46 | > | |
| 47 | SimInfo* simnfo; | |
| 48 | < | |
| 48 | > | |
| 49 | int n_components; | |
| 50 | ||
| 51 | char force_field[100]; | |
| # | Line 64 | Line 74 | class SimSetup{ (public) | |
| 74 | int current_comp_mol; | |
| 75 | int current_comp; | |
| 76 | int current_atom_ndx; | |
| 77 | + | |
| 78 | + | #ifdef IS_MPI |
| 79 | + | int* globalIndex; |
| 80 | + | #endif //is_mpi |
| 81 | + | |
| 82 | }; | |
| 83 | #endif | |
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