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subroutine forceFactory(forceName,status,forceSetup) |
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< |
use TraPPE_ExFF |
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> |
! use TraPPE_ExFF |
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use lj_ff |
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< |
character(len = 15) :: forceName |
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> |
character(len = *) :: forceName |
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integer, intent(out) :: status |
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external forceSetup |
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status = 0 |
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select case (forceName) |
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< |
case ("TraPPE_Ex") |
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< |
call forceSetup(new_TraPPE_ExFF,doTraPPE_ExFF) |
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> |
! case ("TraPPE_Ex") |
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> |
! call forceSetup(new_TraPPE_ExFF,doTraPPE_ExFF) |
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case("LJ") |
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call forceSetup(new_lj_atype,init_ljFF,do_lj_ff) |
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case default |
