forked from lijiext/lammps
70 lines
2.2 KiB
Plaintext
70 lines
2.2 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 nve command :h3
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fix nve/cuda command :h3
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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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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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:line
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Styles with a {cuda} suffix are functionally the same as the
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corresponding style without the suffix. They have been optimized to
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run faster, depending on your available hardware, as discussed in
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"this section"_Section_accelerate.html of the manual. The accelerated
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styles take the same arguments and should produce the same results,
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except for round-off and precision issues.
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These accelerated styles are part of the "user-cuda" package. They
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are only enabled if LAMMPS was built with that package. See the
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"Making LAMMPS"_Section_start.html#2_3 section for more info.
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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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switch"_Section_start.html#2_6 when you invoke LAMMPS, or you can use
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the "suffix"_suffix.html command in your input script.
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See "this section"_Section_accelerate.html of the manual for more
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instructions on how to use the accelerated styles effectively.
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:line
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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 or per-atom quantities are stored
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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:]
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"fix nvt"_fix_nh.html, "fix npt"_fix_nh.html
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[Default:] none
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