15 |
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logical :: is_Charge, is_Dipole, is_Quadrupole |
16 |
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logical :: is_Sticky, is_StickyPower, is_GayBerne, is_EAM |
17 |
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logical :: is_Shape, is_FLARB |
18 |
< |
logical :: is_MEAM,is_SuttonChen |
18 |
> |
logical :: is_MEAM,is_SC |
19 |
|
|
20 |
|
ident = atp%ident |
21 |
|
is_Directional = (atp%is_Directional .ne. 0) |
32 |
|
is_EAM = (atp%is_EAM .ne. 0) |
33 |
|
is_Shape = (atp%is_Shape .ne. 0) |
34 |
|
is_FLARB = (atp%is_FLARB .ne. 0) |
35 |
< |
is_SuttonChen = (atp%is_SuttonChen .ne. 0) |
35 |
> |
is_SC = (atp%is_SC .ne. 0) |
36 |
|
is_MEAM = (atp%is_MEAM .ne. 0) |
37 |
|
|
38 |
|
call new_atype(ident, is_Directional, is_LennardJones, is_Electrostatic, & |
39 |
|
is_Charge, is_Dipole, is_Quadrupole, is_Sticky, is_StickyPower, & |
40 |
< |
is_GayBerne, is_EAM, is_Shape, is_FLARB, is_SuttonChen, is_MEAM,status) |
40 |
> |
is_GayBerne, is_EAM, is_Shape, is_FLARB, is_SC, is_MEAM,status) |
41 |
|
|
42 |
|
end subroutine makeatype |
43 |
|
|