forked from lijiext/lammps
53 lines
1.5 KiB
Plaintext
53 lines
1.5 KiB
Plaintext
"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 gyration command :h3
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[Syntax:]
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fix ID group-ID gyration N file :pre
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ID, group-ID are documented in "fix"_fix.html command
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gyration = style name of this fix command
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N = compute radius-of-gyration every this many timesteps
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file = filename to write gyration info to :ul
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[Examples:]
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fix 1 all gyration 100 molecule.out :pre
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[Description:]
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Compute the radius-of-gyration of the group of atoms every N steps,
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including all effects due to atoms passing thru periodic boundaries.
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Write the results to the specified file.
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Rg is a measure of the size of the group of atoms, and is computed by
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this formula
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:c,image(Eqs/fix_gyration.jpg)
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where M is the total mass of the group and Rcm is the center-of-mass
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position of the group.
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[Restart, fix_modify, output, run start/stop, minimize info:]
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No information about this fix is written to "binary restart
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files"_restart.html. None of the "fix_modify"_fix_modify.html options
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are relevant to this fix. No global scalar or vector or per-atom
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quantities are stored by this fix for access by various "output
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commands"_Section_howto.html#4_15. No parameter of this fix can be
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used with the {start/stop} keywords of the "run"_run.html command.
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This fix is not invoked during "energy minimization"_minimize.html.
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[Restrictions:] none
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[Related commands:] none
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[Default:] none
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