60 |
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subroutine new_atype(ident, is_Directional, is_LennardJones, & |
61 |
|
is_Electrostatic, is_Charge, is_Dipole, is_Quadrupole, & |
62 |
|
is_Sticky, is_StickyPower, is_GayBerne, is_EAM, is_Shape, & |
63 |
< |
is_FLARB, status) |
63 |
> |
is_FLARB,is_SC,is_MEAM, status) |
64 |
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integer :: myATID, c_ident |
65 |
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integer,intent(in) :: ident |
66 |
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logical,intent(in) :: is_Directional, is_LennardJones, is_Electrostatic |
67 |
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logical,intent(in) :: is_Charge, is_Dipole, is_Quadrupole |
68 |
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logical,intent(in) :: is_Sticky, is_StickyPower, is_GayBerne, is_EAM |
69 |
< |
logical,intent(in) :: is_Shape, is_FLARB |
69 |
> |
logical,intent(in) :: is_Shape, is_FLARB, is_SC, is_MEAM |
70 |
|
integer,intent(out) :: status |
71 |
|
|
72 |
|
integer :: me |
98 |
|
call setElementProperty(atypes, me, "is_EAM", is_EAM) |
99 |
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call setElementProperty(atypes, me, "is_Shape", is_Shape) |
100 |
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call setElementProperty(atypes, me, "is_FLARB", is_FLARB) |
101 |
+ |
call setElementProperty(atypes, me, "is_SC", is_SC) |
102 |
+ |
call setElementProperty(atypes, me, "is_MEAM", is_MEAM) |
103 |
|
|
104 |
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end subroutine new_atype |
105 |
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