| 4 |
|
use definitions, only: dp |
| 5 |
|
implicit none |
| 6 |
|
|
| 7 |
+ |
integer, save :: atype_count = 0 |
| 8 |
+ |
|
| 9 |
|
type :: atype |
| 10 |
|
|
| 11 |
|
integer :: atype_ident |
| 12 |
< |
integer :: atom_number |
| 12 |
> |
integer :: atype_fortran_index |
| 13 |
|
|
| 14 |
|
logical :: is_LJ = .false. |
| 15 |
|
logical :: is_DP = .false. |
| 23 |
|
real ( kind = dp ) :: lj_sigma = 0.0_dp |
| 24 |
|
|
| 25 |
|
!! Dipole |
| 26 |
< |
real ( kind = dp ) :: dipoleMoment = 0.0_dp |
| 26 |
> |
real ( kind = dp ) :: dipole_moment = 0.0_dp |
| 27 |
|
!! Sticky Potenial |
| 28 |
|
real ( kind = dp ) :: sticky_w0 = 0.0_dp |
| 29 |
|
real ( kind = dp ) :: sticky_v0 = 0.0_dp |
