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chuckv |
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!! |
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module TraPPE_ExFF |
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use simulation |
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use definitions, ONLY :: dp |
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#ifdef IS_MPI |
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use mpiSimulation |
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#endif |
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implicit none |
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character(len=*), parameter :: thisForceName = "TraPPE_ExFF" |
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integer, save :: n_TraPPE_ExFF_types = 0 |
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type, public :: TraPPE_ExFF_type |
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private |
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sequence |
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character(len=15) :: name |
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real( kind = dp ) :: mass |
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real( kind = dp ) :: epslon |
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real( kind = dp ) :: sigma |
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real :: dipole |
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logical :: isDipole |
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type (TraPPE_ExFF_type), pointer :: next => null() |
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end type TraPPE_ExFF_type |
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type (TraPPE_ExFF_type), & |
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pointer :: TraPPE_ExFF_typelist => null() |
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public :: new_TraPPE_ExFF |
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public :: doTraPPE_ExFF |
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public :: init_TraPPE_ExFF |
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#ifdef IS_MPI |
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public :: mpiTraPPE_ExFF |
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#endif |
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contains |
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subroutine new_TraPPE_ExFF() |
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end subroutine new_TraPPE_ExFF |
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subroutine doTraPPE_ExFF() |
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end subroutine doTraPPE_ExFF |
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end module TraPPE_ExFF |
