2006-09-22 00:22:34 +08:00
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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 nve command :h3
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2011-06-09 05:46:03 +08:00
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fix nve/cuda command :h3
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2013-02-16 01:36:33 +08:00
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fix nve/omp command :h3
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2006-09-22 00:22:34 +08:00
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[Syntax:]
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fix ID group-ID nve :pre
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ID, group-ID are documented in "fix"_fix.html command
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nve = style name of this fix command :ul
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[Examples:]
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fix 1 all nve :pre
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[Description:]
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2008-03-20 06:51:12 +08:00
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Perform constant NVE integration to update position and velocity for
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atoms in the group each timestep. V is volume; E is energy. This
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creates a system trajectory consistent with the microcanonical
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ensemble.
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2006-09-22 00:22:34 +08:00
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2011-06-09 05:46:03 +08:00
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:line
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2013-02-16 01:36:33 +08:00
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Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
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the same as the corresponding style without the suffix. They have
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been optimized to run faster, depending on your available hardware, as
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discussed in "Section_accelerate"_Section_accelerate.html of the
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manual. The accelerated styles take the same arguments and should
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produce the same results, except for round-off and precision issues.
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These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
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packages, respectively. They are only enabled if LAMMPS was built with
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those packages. See the "Making LAMMPS"_Section_start.html#start_3
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section for more info.
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2011-06-09 05:46:03 +08:00
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You can specify the accelerated styles explicitly in your input script
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by including their suffix, or you can use the "-suffix command-line
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2012-01-28 07:39:14 +08:00
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switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
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2011-08-26 00:46:23 +08:00
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use the "suffix"_suffix.html command in your input script.
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2011-06-09 05:46:03 +08:00
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2011-12-14 04:35:35 +08:00
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See "Section_accelerate"_Section_accelerate.html of the manual for
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more instructions on how to use the accelerated styles effectively.
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2011-06-09 05:46:03 +08:00
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:line
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2007-10-11 06:28:11 +08:00
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[Restart, fix_modify, output, run start/stop, minimize info:]
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2007-06-26 08:03:39 +08:00
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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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2010-04-03 00:51:06 +08:00
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are relevant to this fix. No global or per-atom quantities are stored
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by this fix for access by various "output
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2011-08-26 01:01:01 +08:00
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commands"_Section_howto.html#howto_15. No parameter of this fix can
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be used with the {start/stop} keywords of the "run"_run.html command.
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2007-10-11 06:28:11 +08:00
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This fix is not invoked during "energy minimization"_minimize.html.
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2007-06-26 08:03:39 +08:00
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2006-09-22 00:22:34 +08:00
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[Restrictions:] none
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[Related commands:]
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2010-04-03 00:51:06 +08:00
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"fix nvt"_fix_nh.html, "fix npt"_fix_nh.html
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2006-09-22 00:22:34 +08:00
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[Default:] none
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