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