9 |
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typedef struct{ |
10 |
|
double dielect; |
11 |
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int SIM_uses_PBC; |
12 |
< |
int SIM_uses_LJ; |
13 |
< |
int SIM_uses_sticky; |
14 |
< |
int SIM_uses_charges; |
15 |
< |
int SIM_uses_dipoles; |
16 |
< |
int SIM_uses_RF; |
17 |
< |
int SIM_uses_GB; |
12 |
> |
int SIM_uses_DirectionalAtoms; |
13 |
> |
int SIM_uses_LennardJones; |
14 |
> |
int SIM_uses_Electrostatics; |
15 |
> |
int SIM_uses_Charges; |
16 |
> |
int SIM_uses_Dipoles; |
17 |
> |
int SIM_uses_Sticky; |
18 |
> |
int SIM_uses_GayBerne; |
19 |
|
int SIM_uses_EAM; |
20 |
+ |
int SIM_uses_Shapes; |
21 |
+ |
int SIM_uses_FLARB; |
22 |
+ |
int SIM_uses_RF; |
23 |
|
} simtype; |
24 |
|
#endif //__FSIMULATION |
25 |
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#endif //__C |
33 |
|
real ( kind = dp ) :: dielect = 0.0_dp |
34 |
|
!! Periodic Boundry Conditions |
35 |
|
logical :: SIM_uses_PBC |
36 |
< |
logical :: SIM_uses_LJ |
37 |
< |
logical :: SIM_uses_sticky |
38 |
< |
logical :: SIM_uses_charges |
39 |
< |
logical :: SIM_uses_dipoles |
40 |
< |
logical :: SIM_uses_RF |
41 |
< |
logical :: SIM_uses_GB |
36 |
> |
logical :: SIM_uses_DirectionalAtoms |
37 |
> |
logical :: SIM_uses_LennardJones |
38 |
> |
logical :: SIM_uses_Electrostatics |
39 |
> |
logical :: SIM_uses_Charges |
40 |
> |
logical :: SIM_uses_Dipoles |
41 |
> |
logical :: SIM_uses_Sticky |
42 |
> |
logical :: SIM_uses_GayBerne |
43 |
|
logical :: SIM_uses_EAM |
44 |
+ |
logical :: SIM_uses_Shapes |
45 |
+ |
logical :: SIM_uses_FLARB |
46 |
+ |
logical :: SIM_uses_RF |
47 |
|
end type simtype |
48 |
|
#endif |