mirror of https://github.com/lammps/lammps.git
58 lines
1.7 KiB
Plaintext
58 lines
1.7 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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temp_modify command :h3
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[Syntax:]
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temp_modify temp-ID keyword value ... :pre
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temp-ID = ID of temperature to modify :ulb,l
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one or more keyword/value pairs may be listed :l
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keyword = {extra} or {dynamic} :l
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{extra} value = N
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N = # of extra degrees of freedom to subtract
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{dynamic} value = {yes} or {no}
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yes/no = do or do not recompute the number of atoms contributing to the temperature :pre
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:ule
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[Examples:]
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temp_modify mine extra 0
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temp_modify mine dynamic yes :pre
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[Description:]
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Modify the parameters of a previously defined temperature method.
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This can either be the default temperature defined by LAMMPS (ID =
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{default}) or a user-defined temperature created by using the
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"temperature"_temperature.html command.
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The {extra} keyword refers to how many degrees-of-freedom are
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subtracted (typically from 3N) as a normalizing factor in the
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temperature computation. The default is 3 which is a correction
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factor for an ensemble of velocities with zero total linear momentum.
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The {dynamic} keyword determines whether the number of atoms N in the
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temperature group is re-computed each time the temperature is
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computed. By default, N is assumed to be constant. If you are adding
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atoms to the system (see the "fix pour"_fix_pour.html or "fix
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deposit"_fix_deposit.html commands) or expect atoms to be lost
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(e.g. due to evaporation), then this option can be used to insure the
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temperature is correctly normalized.
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[Restrictions:] none
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[Related commands:]
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"temperature"_temperature.html
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[Default:]
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The option defaults are extra = 3 and dynamic = no.
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