13 |
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integer :: ident |
14 |
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logical :: is_Directional, is_LennardJones, is_Electrostatic |
15 |
|
logical :: is_Charge, is_Dipole, is_Quadrupole |
16 |
< |
logical :: is_Sticky, is_GayBerne, is_EAM, is_Shape, is_FLARB |
16 |
> |
logical :: is_Sticky, is_StickyPower, is_GayBerne, is_EAM |
17 |
> |
logical :: is_Shape, is_FLARB |
18 |
|
|
19 |
|
ident = atp%ident |
20 |
|
is_Directional = (atp%is_Directional .ne. 0) |
26 |
|
is_Dipole = (atp%is_Dipole .ne. 0) |
27 |
|
is_Quadrupole = (atp%is_Quadrupole .ne. 0) |
28 |
|
is_Sticky = (atp%is_Sticky .ne. 0) |
29 |
+ |
is_StickyPower = (atp%is_StickyPower .ne. 0) |
30 |
|
is_GayBerne = (atp%is_GayBerne .ne. 0) |
31 |
|
is_EAM = (atp%is_EAM .ne. 0) |
32 |
|
is_Shape = (atp%is_Shape .ne. 0) |
33 |
|
is_FLARB = (atp%is_FLARB .ne. 0) |
34 |
|
|
35 |
|
call new_atype(ident, is_Directional, is_LennardJones, is_Electrostatic, & |
36 |
< |
is_Charge, is_Dipole, is_Quadrupole, is_Sticky, is_GayBerne, is_EAM, & |
37 |
< |
is_Shape, is_FLARB, status) |
36 |
> |
is_Charge, is_Dipole, is_Quadrupole, is_Sticky, is_StickyPower, & |
37 |
> |
is_GayBerne, is_EAM, is_Shape, is_FLARB, status) |
38 |
|
|
39 |
|
end subroutine makeatype |
40 |
|
|