| 1 |
mmeineke |
377 |
|
| 2 |
|
|
subroutine wrapForceField(infoWrapper) |
| 3 |
|
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|
| 4 |
|
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use atype_module, ONLY: new_atype |
| 5 |
|
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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 |
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|
|
| 27 |
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|
| 28 |
|
|
#ifdef IS_MPI |
| 29 |
|
|
|
| 30 |
|
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subroutine wrapSimParallelMod(infoWrapper) |
| 31 |
|
|
use mpiSimulation, only: setupSimParallel |
| 32 |
|
|
|
| 33 |
|
|
external infoWrapper |
| 34 |
|
|
|
| 35 |
|
|
call infoWrapper( setupSimParallel ) |
| 36 |
|
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|
| 37 |
|
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end subroutine wrapSimParallelMod |
| 38 |
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|
| 39 |
|
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#endif |
