forked from lijiext/lammps
55 lines
1.6 KiB
Plaintext
55 lines
1.6 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/eff command :h3
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[Syntax:]
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fix ID group-ID nve/eff :pre
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ID, group-ID are documented in "fix"_fix.html command
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nve/eff = style name of this fix command :ul
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[Examples:]
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fix 1 all nve/eff :pre
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[Description:]
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Perform constant NVE integration to update position and velocity for
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nuclei and electrons in the group for the "electron force
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field"_pair_eff.html model. V is volume; E is energy. This creates a
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system trajectory consistent with the microcanonical ensemble.
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The operation of this fix is exactly like that described by the "fix
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nve"_fix_nve.html command, except that the radius and radial velocity
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of electrons are also updated.
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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#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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This fix is not invoked during "energy minimization"_minimize.html.
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[Restrictions:]
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This fix is part of the USER-EFF package. It is only enabled if
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LAMMPS was built with that package. See the "Making
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LAMMPS"_Section_start.html#start_3 section for more info.
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[Related commands:]
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"fix nve"_fix_nve.html, "fix nvt/eff"_fix_nh_eff.html, "fix
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npt/eff"_fix_nh_eff.html
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[Default:] none
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