| 1 |
|
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subroutine wrapForceField(infoWrapper) |
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|
| 4 |
use atype_module, ONLY: new_atype |
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use do_Forces, ONLY: init_FF, do_force_loop |
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use sticky_pair, ONLY: set_sticky_params |
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use gb_pair, ONLY: set_gb_pair_params |
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external infoWrapper |
| 9 |
|
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call infoWrapper(new_atype,init_FF,do_force_loop, & |
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set_sticky_params,set_gb_pair_params) |
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|
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end subroutine wrapForceField |
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|
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subroutine wrapSimMod(infoWrapper) |
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use simulation, only: simulationSetup, setBox |
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use notifyCutoffs, only: cutoffNotify |
| 19 |
|
| 20 |
external infoWrapper |
| 21 |
|
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call infoWrapper( simulationSetup, setBox, cutoffNotify ) |
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|
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end subroutine wrapSimMod |
| 25 |
|
| 26 |
|
| 27 |
|
| 28 |
#ifdef IS_MPI |
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|
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subroutine wrapSimParallelMod(infoWrapper) |
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use mpiSimulation, only: setupSimParallel |
| 32 |
|
| 33 |
external infoWrapper |
| 34 |
|
| 35 |
call infoWrapper( setupSimParallel ) |
| 36 |
|
| 37 |
end subroutine wrapSimParallelMod |
| 38 |
|
| 39 |
#endif |
