56 |
|
|
57 |
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subroutine new_atype(ident, is_Directional, is_LennardJones, & |
58 |
|
is_Electrostatic, is_Charge, is_Dipole, is_Quadrupole, & |
59 |
< |
is_Sticky, is_GayBerne, is_EAM, is_Shape, is_FLARB, status) |
59 |
> |
is_Sticky, is_StickyPower, is_GayBerne, is_EAM, is_Shape, & |
60 |
> |
is_FLARB, status) |
61 |
|
integer :: myATID, c_ident |
62 |
|
integer,intent(in) :: ident |
63 |
|
logical,intent(in) :: is_Directional, is_LennardJones, is_Electrostatic |
64 |
|
logical,intent(in) :: is_Charge, is_Dipole, is_Quadrupole |
65 |
< |
logical,intent(in) :: is_Sticky, is_GayBerne, is_EAM, is_Shape, is_FLARB |
65 |
> |
logical,intent(in) :: is_Sticky, is_StickyPower, is_GayBerne, is_EAM |
66 |
> |
logical,intent(in) :: is_Shape, is_FLARB |
67 |
|
integer,intent(out) :: status |
68 |
|
|
69 |
|
integer :: me |
90 |
|
call setElementProperty(atypes, me, "is_Dipole", is_Dipole) |
91 |
|
call setElementProperty(atypes, me, "is_Quadrupole", is_Quadrupole) |
92 |
|
call setElementProperty(atypes, me, "is_Sticky", is_Sticky) |
93 |
+ |
call setElementProperty(atypes, me, "is_StickyPower", is_StickyPower) |
94 |
|
call setElementProperty(atypes, me, "is_GayBerne", is_GayBerne) |
95 |
|
call setElementProperty(atypes, me, "is_EAM", is_EAM) |
96 |
|
call setElementProperty(atypes, me, "is_Shape", is_Shape) |