# | Line 20 | Line 20 | class SimSetup{ (public) | |
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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{ (public) | |
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]; |
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