| 1 |
gezelter |
1490 |
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| 2 |
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subroutine wrapForceField(infoWrapper) |
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| 4 |
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use atype_module, ONLY: new_atype |
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gezelter |
1610 |
use doForces, ONLY: init_FF, do_force_loop |
| 6 |
gezelter |
1490 |
use sticky_pair, ONLY: set_sticky_params |
| 7 |
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use gb_pair, ONLY: set_gb_pair_params |
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use eam, ONLY: newEAMtype |
| 9 |
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external infoWrapper |
| 10 |
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| 11 |
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call infoWrapper(new_atype,init_FF,do_force_loop, & |
| 12 |
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set_sticky_params,set_gb_pair_params,newEAMtype) |
| 13 |
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| 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 |
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use simulation, only: simulationSetup, setBox |
| 19 |
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use notifyCutoffs, only: cutoffNotify |
| 20 |
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| 21 |
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external infoWrapper |
| 22 |
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| 23 |
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call infoWrapper( simulationSetup, setBox, cutoffNotify ) |
| 24 |
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| 25 |
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end subroutine wrapSimMod |
| 26 |
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| 27 |
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| 28 |
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#ifdef IS_MPI |
| 29 |
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| 30 |
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subroutine wrapSimParallelMod(infoWrapper) |
| 31 |
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use mpiSimulation, only: setupSimParallel |
| 32 |
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| 33 |
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external infoWrapper |
| 34 |
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| 35 |
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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 |
