module simulationQP934
  include("./DATA.jl")          # data structure
  export Data


  include("./wrap.jl")
  include("./wrap_cell.jl")     # function to wrap cells using pbc
  include("./pbcseparation.jl") # calculation of the distance between two particles using periodic boundary conditions 
  include("./linkedlist.jl")    # function to using linked lists to save the particles positions
  export linkedlist 
  
  include("./initial-point.jl")
  export initial_point          # initial configuration
  
  include("./upair.jl")         # lennard-jones energy between two particles
  include("./utotal.jl")
  export utotal
  
  include("./utotal_parallel.jl") # total energy calculated using paralelization
  export utotal_parallel

  # new parallel version
  include("linear_index.jl" )
  export linear_index

  include("./utotal_parallel2.jl") # total energy calculated using paralelization
  export utotal_parallel2

  # force calculation
  include("./fpair.jl")
  export fpair
  
  include("./force.jl") 
  include("./initial_velocity.jl")  

  include("./MDINPUT.jl") 

  include("mov_integration.jl")
  export md

end
