31 |
|
type(lj_atype), pointer :: this => null() |
32 |
|
end type lj_identPtrList |
33 |
|
|
34 |
+ |
!! Atype for soft sticky dipole water module |
35 |
+ |
type :: ssd_atype |
36 |
+ |
|
37 |
+ |
!! Lennard-Jones portion of SSD model |
38 |
+ |
type (lj_atype) :: lj_params |
39 |
+ |
|
40 |
+ |
logical :: hasDipole |
41 |
+ |
real ( kind = dp ) :: dipoleMoment = 0.0_dp |
42 |
+ |
real ( kind = dp ) :: w0 |
43 |
+ |
real ( kind = dp ) :: v0 |
44 |
+ |
!! Pointer for linked list creation |
45 |
+ |
type (ssd_atype), pointer :: next => null() |
46 |
+ |
type (ssd_atype), pointer :: prev => null() |
47 |
+ |
end type ssd_atype |
48 |
+ |
!! Pointer list for ljAtype |
49 |
+ |
type :: ssd_identPtrList |
50 |
+ |
logical :: exclude = .false. |
51 |
+ |
type(ssd_atype), pointer :: this => null() |
52 |
+ |
end type ssd_identPtrList |
53 |
+ |
|
54 |
+ |
|
55 |
+ |
|
56 |
+ |
|
57 |
|
end module atype_typedefs |