forked from lijiext/lammps
44 lines
1012 B
Plaintext
44 lines
1012 B
Plaintext
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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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fix msd command :h3
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[Syntax:]
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fix ID group-ID msd N file :pre
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ID, group-ID are documented in "fix"_fix.html command
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msd = style name of this fix command
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N = compute mean-squared displacement every this many timesteps
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file = filename to write mean-squared displacement info to :ul
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[Examples:]
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fix 1 all msd 100 diff.out :pre
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[Description:]
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Compute the mean-squared displacement of the group of atoms every N
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steps, including all effects due to atoms passing thru periodic
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boundaries. The slope of the mean-squared displacement versus time is
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proportional to the diffusion coefficient of the diffusing atoms. The
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"origin" of the displacement for each atom is its position at the time
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the fix command was issued. Write the results to the specified file.
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[Restrictions:] none
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[Related commands:] none
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[Default:] none
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