3 |
|
|
4 |
|
use atype_module, ONLY: new_atype |
5 |
|
use do_Forces, ONLY: init_FF, do_force_loop |
6 |
+ |
use sticky_pair, ONLY: set_sticky_params |
7 |
+ |
use gb_pair, ONLY: set_gb_pair_params |
8 |
+ |
use eam, ONLY: newEAMtype |
9 |
|
external infoWrapper |
10 |
|
|
11 |
< |
call infoWrapper(new_atype,init_FF,do_force_loop) |
11 |
> |
call infoWrapper(new_atype,init_FF,do_force_loop, & |
12 |
> |
set_sticky_params,set_gb_pair_params,newEAMtype) |
13 |
|
|
14 |
|
end subroutine wrapForceField |
15 |
|
|
16 |
|
|
13 |
– |
|
17 |
|
subroutine wrapSimMod(infoWrapper) |
18 |
< |
use simulation, only: simulationSetup, setBox_3d |
18 |
> |
use simulation, only: simulationSetup, setBox |
19 |
> |
use notifyCutoffs, only: cutoffNotify |
20 |
|
|
21 |
|
external infoWrapper |
22 |
|
|
23 |
< |
call infoWrapper( simulationSetup, setBox_3d ) |
23 |
> |
call infoWrapper( simulationSetup, setBox, cutoffNotify ) |
24 |
|
|
25 |
|
end subroutine wrapSimMod |
26 |
|
|