lammps/doc/fix_gyration.txt

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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
fix gyration command :h3
[Syntax:]
fix ID group-ID gyration N file :pre
ID, group-ID are documented in "fix"_fix.html command
gyration = style name of this fix command
N = compute radius-of-gyration every this many timesteps
file = filename to write gyration info to :ul
[Examples:]
fix 1 all gyration 100 molecule.out :pre
[Description:]
Compute the radius-of-gyration of the group of atoms every N steps,
including all effects due to atoms passing thru periodic boundaries.
Write the results to the specified file.
Rg is a measure of the size of the group of atoms, and is computed by
this formula
:c,image(Eqs/fix_gyration.jpg)
where M is the total mass of the group and Rcm is the center-of-mass
position of the group.
[Restrictions:] none
[Related commands:] none
[Default:] none