| 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]; |
