lammps/doc/fix_nve.txt

"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)

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fix nve command :h3
fix nve/cuda command :h3

[Syntax:]

fix ID group-ID nve :pre

ID, group-ID are documented in "fix"_fix.html command
nve = style name of this fix command :ul

[Examples:]

fix 1 all nve :pre

[Description:]

Perform constant NVE integration to update position and velocity for
atoms in the group each timestep.  V is volume; E is energy.  This
creates a system trajectory consistent with the microcanonical
ensemble.

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Styles with a {cuda} suffix are functionally the same as the
corresponding style without the suffix.  They have been optimized to
run faster, depending on your available hardware, as discussed in
"this section"_Section_accelerate.html of the manual.  The accelerated
styles take the same arguments and should produce the same results,
except for round-off and precision issues.

These accelerated styles are part of the USER-CUDA package.  They are
only enabled if LAMMPS was built with that package.  See the "Making
LAMMPS"_Section_start.html#start_3 section for more info.

You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.

See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.

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[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 not invoked during "energy minimization"_minimize.html.

[Restrictions:] none

[Related commands:]

"fix nvt"_fix_nh.html, "fix npt"_fix_nh.html

[Default:] none