1 |
mmeineke |
377 |
|
2 |
|
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subroutine wrapForceField(infoWrapper) |
3 |
|
|
|
4 |
|
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use atype_module, ONLY: new_atype |
5 |
|
|
use do_Forces, ONLY: init_FF, do_force_loop |
6 |
gezelter |
462 |
use sticky_pair, ONLY: set_sticky_params |
7 |
|
|
use gb_pair, ONLY: set_gb_pair_params |
8 |
chuckv |
657 |
use eam, ONLY: newEAMtype |
9 |
mmeineke |
377 |
external infoWrapper |
10 |
|
|
|
11 |
chuckv |
460 |
call infoWrapper(new_atype,init_FF,do_force_loop, & |
12 |
chuckv |
657 |
set_sticky_params,set_gb_pair_params,newEAMtype) |
13 |
mmeineke |
377 |
|
14 |
|
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end subroutine wrapForceField |
15 |
|
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|
16 |
|
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|
17 |
|
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subroutine wrapSimMod(infoWrapper) |
18 |
mmeineke |
572 |
use simulation, only: simulationSetup, setBox |
19 |
mmeineke |
626 |
use notifyCutoffs, only: cutoffNotify |
20 |
mmeineke |
377 |
|
21 |
|
|
external infoWrapper |
22 |
|
|
|
23 |
mmeineke |
626 |
call infoWrapper( simulationSetup, setBox, cutoffNotify ) |
24 |
mmeineke |
377 |
|
25 |
|
|
end subroutine wrapSimMod |
26 |
|
|
|
27 |
|
|
|
28 |
|
|
#ifdef IS_MPI |
29 |
|
|
|
30 |
|
|
subroutine wrapSimParallelMod(infoWrapper) |
31 |
|
|
use mpiSimulation, only: setupSimParallel |
32 |
|
|
|
33 |
|
|
external infoWrapper |
34 |
|
|
|
35 |
|
|
call infoWrapper( setupSimParallel ) |
36 |
|
|
|
37 |
|
|
end subroutine wrapSimParallelMod |
38 |
|
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|
39 |
|
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#endif |