| # | Line 20 | Line 20 | class SimSetup{ (private) | |
|---|---|---|
| 20 | void parseFile( char* fileName ); | |
| 21 | void createSim( void ); | |
| 22 | ||
| 23 | – | private: |
| 23 | ||
| 24 | + | #ifdef IS_MPI |
| 25 | + | void receiveParse(void); |
| 26 | + | void testMe(void); |
| 27 | + | #endif |
| 28 | + | |
| 29 | + | |
| 30 | + | private: |
| 31 | + | |
| 32 | void makeAtoms( void ); | |
| 26 | – | void makeMolecules( void ); |
| 33 | void makeBonds( void ); | |
| 34 | void makeBends( void ); | |
| 35 | void makeTorsions( void ); | |
| # | Line 34 | Line 40 | class SimSetup{ (private) | |
| 40 | MakeStamps* stamps; | |
| 41 | Globals* globals; | |
| 42 | char* inFileName; | |
| 43 | < | |
| 43 | > | |
| 44 | SimInfo* simnfo; | |
| 45 | < | |
| 45 | > | |
| 46 | int n_components; | |
| 47 | ||
| 48 | char force_field[100]; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |