Homec4science
Diffusion lammps (runner) Browse

lammps/doc/fix_modify.txt
7f2abdaa72b5runner

Last Change
Raw File

fix_modify.txt
View Options

"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
fix_modify command :h3
[Syntax:]
fix_modify fix-ID keyword value ... :pre
fix-ID = ID of the fix to modify :ulb,l
one or more keyword/value pairs may be appended :l
keyword = {temp} or {press} or {energy} :l
{temp} value = compute ID that calculates a temperature
{press} value = compute ID that calculates a pressure
{energy} value = {yes} or {no} :pre
:ule
[Examples:]
fix_modify 3 temp myTemp press myPress
fix_modify 1 energy yes :pre
[Description:]
Modify one or more parameters of a previously defined fix. Not all
fix styles support all parameters.
The {temp} keyword is used to determine how a fix computes
temperature. The specified compute ID must have been previously
defined by the user via the "compute"_compute.html command and it must
be a style of compute that calculates a temperature. All fixes that
compute temperatures defined their own compute by default, as
described in their documentation. Thus this option allows the user to
override the default method for computing T.
The {press} keyword is used to determine how a fix computes pressure.
The specified compute ID must have been previously defined by the user
via the "compute"_compute.html command and it must be a style of
compute that calculates a pressure. All fixes that compute pressures
defined their own compute by default, as described in their
documentation. Thus this option allows the user to override the
default method for computing P.
For fixes that calculates a contribution to the potential energy of
the system, the {energy} keyword will include that contribution in
thermodyanmic output of the potential energy, as invoked by the
"thermo_style"_thermo_style.html command. The value of the
contribution can also be printed by itself using the "thermo_style
custom"_thermo_style.html keywords. The documentation for individual
fix commands specifies whether they make a contribution to the
potential energy.
[Restrictions:] none
[Related commands:]
"fix"_fix.html, "temperature"_temperature.html,
"thermo_style"_thermo_style.html
[Default:]
The option defaults are temp = ID defined by fix, press = ID defined
by fix, energy = no.
c4science · Help