| 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 |
