62 lines
2.0 KiB
Plaintext
62 lines
2.0 KiB
Plaintext
"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 manifoldforce command :h3
|
|
|
|
[Syntax:]
|
|
|
|
fix ID group-ID manifoldforce manifold manifold-args ... :pre
|
|
|
|
ID, group-ID are documented in "fix"_fix.html command :ulb,l
|
|
manifold = name of the manifold :l
|
|
manifold-args = parameters for the manifold :l
|
|
|
|
:ule
|
|
|
|
[Examples:]
|
|
|
|
fix constrain all manifoldforce sphere 5.0
|
|
|
|
[Description:]
|
|
|
|
This fix subtracts each time step from the force the component along the normal of the specified "manifold"_manifolds.html.
|
|
This can be used in combination with "minimize"_minimize.html to remove overlap between particles while
|
|
keeping them (roughly) constrained to the given manifold, e.g. to set up a run with "fix nve/manifold/rattle"_fix_nve_manifold_rattle.html.
|
|
I have found that only {hftn} and {quickmin} with a very small time step perform adequately though.
|
|
|
|
:line
|
|
|
|
[Restart, fix_modify, output, run start/stop, minimize info:]
|
|
|
|
No information about this fix is written to "binary restart
|
|
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
|
are relevant to this fix. No global or per-atom quantities are stored
|
|
by this fix for access by various "output
|
|
commands"_Section_howto.html#howto_15. No parameter of this fix can
|
|
be used with the {start/stop} keywords of the "run"_run.html command.
|
|
This fix is invoked during "energy minimization"_minimize.html.
|
|
|
|
:line
|
|
|
|
[Restrictions:]
|
|
|
|
This fix is part of the USER-MANIFOLD package. It is only enabled if LAMMPS
|
|
was built with that package. See the "Making LAMMPS"_Section_start.html#start_3
|
|
section for more info.
|
|
|
|
Only use this with {min_style hftn} or {min_style quickmin}. If not, the constraints
|
|
will not be satisfied very well at all. A warning is generated if the {min_style} is
|
|
incompatible but no error.
|
|
|
|
:line
|
|
|
|
[Related commands:]
|
|
|
|
"fix nve/manifold/rattle"_fix_nve_manifold_rattle.html, "fix nvt/manifold/rattle"_fix_nvt_manifold_rattle.html
|
|
|