77 |
|
end subroutine new_atype |
78 |
|
|
79 |
|
end module atype_module |
80 |
+ |
|
81 |
|
! provide interface for c calls.... |
82 |
+ |
|
83 |
|
subroutine makeatype(c_ident, is_LJ, is_Sticky, is_DP, is_GB, & |
84 |
|
is_EAM, is_Charge, lj_epsilon, lj_sigma, charge, dipole_moment, & |
85 |
|
status) |
100 |
|
integer, intent(in) :: is_LJ |
101 |
|
integer, intent(in) :: is_Charge |
102 |
|
|
103 |
< |
call module_new_atype(c_ident, is_LJ, is_Sticky, is_DP, is_GB, & |
103 |
> |
call new_atype(c_ident, is_LJ, is_Sticky, is_DP, is_GB, & |
104 |
|
is_EAM, is_Charge, lj_epsilon, lj_sigma, charge, dipole_moment, & |
105 |
|
status) |
106 |
|
|
107 |
< |
end subroutine |
107 |
> |
end subroutine |