| 18 |
|
sequence |
| 19 |
|
!! Unique number for place in linked list |
| 20 |
|
integer :: atype_number = 0 |
| 21 |
– |
!! Name of atype |
| 22 |
– |
character(len = 15) :: name = "NULL" |
| 21 |
|
!! Unique indentifier number (ie atomic no, etc) |
| 22 |
|
integer :: atype_ident = 0 |
| 23 |
|
!! Mass of Particle |
| 77 |
|
|
| 78 |
|
contains |
| 79 |
|
|
| 80 |
< |
subroutine new_lj_atype(name,ident,mass,epslon,sigma,status) |
| 83 |
< |
character( len = 15 ) :: name |
| 80 |
> |
subroutine new_lj_atype(ident,mass,epslon,sigma,status) |
| 81 |
|
real( kind = dp ), intent(in) :: mass |
| 82 |
|
real( kind = dp ), intent(in) :: epslon |
| 83 |
|
real( kind = dp ), intent(in) :: sigma |
| 105 |
|
end if |
| 106 |
|
|
| 107 |
|
! assign our new lj_atype information |
| 111 |
– |
this_lj_atype%name = name |
| 108 |
|
this_lj_atype%mass = mass |
| 109 |
|
this_lj_atype%epslon = epslon |
| 110 |
|
this_lj_atype%sigma = sigma |
