forked from lijiext/lammps
69 lines
2.3 KiB
Plaintext
69 lines
2.3 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_modify command :h3
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[Syntax:]
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fix_modify fix-ID keyword value ... :pre
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fix-ID = ID of the fix to modify :ulb,l
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one or more keyword/value pairs may be appended :l
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keyword = {temp} or {press} or {thermo} :l
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{temp} value = compute ID that calculates a temperature
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{press} value = compute ID that calculates a pressure
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{thermo} value = {yes} or {no} :pre
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:ule
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[Examples:]
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fix_modify 3 temp myTemp press myPress
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fix_modify 1 thermo yes :pre
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[Description:]
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Modify one or more parameters of a previously defined fix. Not all
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fix styles support all parameters.
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The {temp} keyword is used to determine how a fix computes
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temperature. The specified compute ID must have been previously
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defined by the user via the "compute"_compute.html command and it must
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be a style of compute that calculates a temperature. All fixes that
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compute temperatures defined their own compute by default, as
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described in their documentation. Thus this option allows the user to
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override the default method for computing T.
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The {press} keyword is used to determine how a fix computes pressure.
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The specified compute ID must have been previously defined by the user
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via the "compute"_compute.html command and it must be a style of
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compute that calculates a pressure. All fixes that compute pressures
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defined their own compute by default, as described in their
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documentation. Thus this option allows the user to override the
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default method for computing P.
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For fixes that calculates a contribution to the potential energy of
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the system, the {thermo} keyword will include that contribution in
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thermodyanmic output of the potential energy, as invoked by the
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"thermo_style"_thermo_style.html command. The value of the
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contribution can also be printed by itself using the "thermo_style
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custom"_thermo_style.html keywords. The documentation for individual
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fix commands specifies whether they make a contribution to the
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potential energy.
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[Restrictions:] none
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[Related commands:]
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"fix"_fix.html, "temperature"_temperature.html,
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"thermo_style"_thermo_style.html
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[Default:]
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The option defaults are temp = ID defined by fix, press = ID defined
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by fix, thermo = no.
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