| 2 |
|
!! Corresponds to the force field defined in lj_FF.cpp |
| 3 |
|
!! @author Charles F. Vardeman II |
| 4 |
|
!! @author Matthew Meineke |
| 5 |
< |
!! @version $Id: calc_LJ_FF.F90,v 1.8 2003-07-15 22:22:41 mmeineke Exp $, $Date: 2003-07-15 22:22:41 $, $Name: not supported by cvs2svn $, $Revision: 1.8 $ |
| 5 |
> |
!! @version $Id: calc_LJ_FF.F90,v 1.9 2003-07-16 16:40:03 chuckv Exp $, $Date: 2003-07-16 16:40:03 $, $Name: not supported by cvs2svn $, $Revision: 1.9 $ |
| 6 |
|
|
| 7 |
|
module lj |
| 8 |
|
use definitions |
| 119 |
|
|
| 120 |
|
if (.not. associated(ljMixed)) then |
| 121 |
|
allocate(ljMixed(nAtypes, nAtypes)) |
| 122 |
< |
else |
| 123 |
< |
status = -1 |
| 124 |
< |
return |
| 125 |
< |
end if |
| 122 |
> |
endif |
| 123 |
|
|
| 124 |
|
rcut6 = LJ_rcut**6 |
| 125 |
|
|
