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