19 |
|
void setSimInfo( SimInfo* the_simnfo ) { simnfo = the_simnfo; } |
20 |
|
void parseFile( char* fileName ); |
21 |
|
void createSim( void ); |
22 |
+ |
void testMe(void); |
23 |
|
|
24 |
< |
private: |
24 |
> |
#ifdef MPI |
25 |
> |
void receveParse(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 ); |
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]; |