mirror of https://github.com/lammps/lammps.git
36 lines
1013 B
Plaintext
36 lines
1013 B
Plaintext
# -------- REQUIREMENTS: ---------
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# 1) This example requires the "USER-MISC" package. (Use "make yes-USER-MISC")
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# http://lammps.sandia.gov/doc/Section_start.html#start_3
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# 2) It also may require additional features and bug fixes for LAMMPS.
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# So, after typing "make yes-user-misc" in to the shell, ...
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# be sure to download and copy the "additional_lammps_code" from
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# http://moltemplate.org (upper-left corner menu)
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# 3) Unpack it
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# 4) copy the .cpp and .h files to the src folding of your lammps installation.
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# 5) Compile LAMMPS.
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#
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# If LAMMPS complains about an "Invalid pair_style", or "Invalid dihedral_style"
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# then you made a mistake in the instructions above.
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# -- Init section --
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include system.in.init
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# -- Atom definition section --
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read_data system.data
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# -- Settings Section --
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include system.in.settings
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# -- Run section --
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dump 1 all custom 50 traj_min.lammpstrj id mol type x y z ix iy iz
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minimize 1.0e-5 1.0e-7 500 2000
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write_restart system_after_min.rst
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