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# 3d Lennard-Jones melt - server script
variable mode index file
if "${mode} == file" then &
"message server md file tmp.couple" &
elif "${mode} == zmq" &
"message server md zmq *:5555" &
elif "${mode} == mpione" &
"message server md mpi/one" &
elif "${mode} == mpitwo" &
"message server md mpi/two tmp.couple"
units lj
atom_style atomic
dimension 2
atom_modify map yes
lattice sq2 0.8442
region box prism 0 10 0 8 -0.5 0.5 0 0 0
create_box 2 box
create_atoms 1 box
mass * 1.0 # masses not used by server
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0 1.0
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
server md
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