forked from lijiext/lammps
77 lines
2.6 KiB
Plaintext
77 lines
2.6 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 temp/rescale/eff command :h3
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[Syntax:]
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fix ID group-ID temp/rescale/eff N Tstart Tstop window fraction :pre
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ID, group-ID are documented in "fix"_fix.html command
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temp/rescale/eff = style name of this fix command
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N = perform rescaling every N steps
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Tstart,Tstop = desired temperature at start/end of run (temperature units)
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window = only rescale if temperature is outside this window (temperature units)
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fraction = rescale to target temperature by this fraction :ul
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[Examples:]
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fix 3 flow temp/rescale/eff 10 1.0 100.0 0.02 1.0 :pre
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[Description:]
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Reset the temperature of a group of nuclei and electrons in the
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"electron force field"_pair_eff.html model by explicitly rescaling
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their velocities.
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The operation of this fix is exactly like that described by the "fix
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temp/rescale"_fix_temp_rescale.html command, except that the rescaling
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is also applied to the radial electron velocity for electron
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particles.
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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.
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The "fix_modify"_fix_modify.html {temp} option is supported by this
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fix. You can use it to assign a temperature "compute"_compute.html
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you have defined to this fix which will be used in its thermostatting
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procedure, as described above. For consistency, the group used by
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this fix and by the compute should be the same.
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The "fix_modify"_fix_modify.html {energy} option is supported by this
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fix to add the energy change implied by a velocity rescaling to the
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system's potential energy as part of "thermodynamic
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output"_thermo_style.html.
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This fix computes a global scalar which can be accessed by various
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"output commands"_Section_howto.html#howto_15. The scalar is the
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cummulative energy change due to this fix. The scalar value
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calculated by this fix is "extensive".
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This fix can ramp its target temperature over multiple runs, using the
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{start} and {stop} keywords of the "run"_run.html command. See the
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"run"_run.html command for details of how to do this.
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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 langevin/eff"_fix_langevin_eff.html, "fix
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nvt/eff"_fix_nh_eff.html, "fix_modify"_fix_modify.html,
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"fix_temp_rescale"_fix_temp_rescale.html,
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[Default:] none
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