6 |
|
real(kind=dp),intent(inout) :: epsilon |
7 |
|
integer,intent(inout) :: soft_pot |
8 |
|
integer,intent(inout) :: status |
9 |
< |
|
9 |
> |
|
10 |
|
call module_newLJtype(c_ident, sigma, epsilon, soft_pot, status) |
11 |
< |
|
11 |
> |
|
12 |
|
end subroutine newLJtype |
13 |
|
|
14 |
< |
subroutine useGeometricMixing() |
15 |
< |
use lj, ONLY: module_useGeometricMixing => useGeometricMixing |
16 |
< |
|
17 |
< |
call module_useGeometricMixing() |
18 |
< |
return |
19 |
< |
end subroutine useGeometricMixing |
14 |
> |
subroutine destroyLJTypes() |
15 |
> |
use lj, ONLY: module_destroyLJTypes => destroyLJTypes |
16 |
> |
|
17 |
> |
call module_destroyLJTypes() |
18 |
> |
|
19 |
> |
end subroutine destroyLJTypes |