forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4658 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
87e39e7610
commit
745d19c08a
|
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@ -9,14 +9,14 @@
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<HR>
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<H3>fix temp/rescale/eff command
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<H3>fix temp/rescale command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>fix ID group-ID temp/rescale/eff N Tstart Tstop window fraction
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<PRE>fix ID group-ID temp/rescale N Tstart Tstop window fraction
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</PRE>
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<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
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<LI>temp/rescale/eff = style name of this fix command
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<LI>temp/rescale = style name of this fix command
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<LI>N = perform rescaling every N steps
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<LI>Tstart,Tstop = desired temperature at start/end of run (temperature units)
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<LI>window = only rescale if temperature is outside this window (temperature units)
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@ -24,15 +24,21 @@
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>fix 3 flow temp/rescale/eff 10 1.0 100.0 0.02 1.0
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<PRE>fix 3 flow temp/rescale 100 1.0 1.1 0.02 0.5
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fix 3 boundary temp/rescale 1 1.0 1.5 0.05 1.0
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fix 3 boundary temp/rescale 1 1.0 1.5 0.05 1.0
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</PRE>
|
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<P><B>Description:</B>
|
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</P>
|
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<P>Reset the temperature of a group of atoms by explicitly rescaling
|
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their velocities.
|
||||
</P>
|
||||
<P>The rescaling is applied to the translational degrees of freedom
|
||||
for all particles, and the electronic radial degrees of freedom. The translational degrees of freedom can also have a bias velocity removed from them before thermostatting takes place; see the description below.
|
||||
<P>The rescaling is applied to only the translational degrees of freedom
|
||||
for the particles, which is an important consideration if extended
|
||||
spherical or aspherical particles which have rotational degrees of
|
||||
freedom are being thermostatted with this fix. The translational
|
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degrees of freedom can also have a bias velocity removed from them
|
||||
before thermostatting takes place; see the description below.
|
||||
</P>
|
||||
<P>Rescaling is performed every N timesteps. The target temperature is a
|
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ramped value between the <I>Tstart</I> and <I>Tstop</I> temperatures at the
|
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|
|
@ -45,14 +51,15 @@ difference between the actual and desired temperature. E.g. if
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<I>fraction</I> = 1.0, the temperature is reset to exactly the desired
|
||||
value.
|
||||
</P>
|
||||
<P>IMPORTANT NOTE: Unlike the <A HREF = "fix_nh.html">fix nvt/eff</A> command which
|
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<P>IMPORTANT NOTE: Unlike the <A HREF = "fix_nh.html">fix nvt</A> command which
|
||||
performs Nose/Hoover thermostatting AND time integration, this fix
|
||||
does NOT perform time integration. It only modifies velocities to
|
||||
effect thermostatting. Thus you must use a separate time integration
|
||||
fix, like <A HREF = "fix_nve_eff.html">fix nve/eff</A> to actually update the positions of atoms using the modified velocities. Likewise, this fix should not
|
||||
fix, like <A HREF = "fix_nve.html">fix nve</A> to actually update the positions of
|
||||
atoms using the modified velocities. Likewise, this fix should not
|
||||
normally be used on atoms that also have their temperature controlled
|
||||
by another fix - e.g. by <A HREF = "fix_nh.html">fix nvt/eff</A> or <A HREF = "fix_langevin_eff.html">fix
|
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langevin/eff</A> commands.
|
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by another fix - e.g. by <A HREF = "fix_nh.html">fix nvt</A> or <A HREF = "fix_langevin.html">fix
|
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langevin</A> commands.
|
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</P>
|
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<P>See <A HREF = "Section_howto.html#4_16">this howto section</A> of the manual for a
|
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discussion of different ways to compute temperature and perform
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|
|
@ -62,9 +69,10 @@ thermostatting.
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creates its own compute of style "temp", as if one of this command had
|
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been issued:
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</P>
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<PRE>compute fix-ID_temp group-ID temp/eff
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<PRE>compute fix-ID_temp group-ID temp
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</PRE>
|
||||
<P>See the <A HREF = "compute_temp_eff.html">compute temp/eff</A> for details. Note that the ID of the new compute is the fix-ID + underscore + "temp", and the
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<P>See the <A HREF = "compute_temp.html">compute temp</A> for details. Note that the
|
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ID of the new compute is the fix-ID + underscore + "temp", and the
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group for the new compute is the same as the fix group.
|
||||
</P>
|
||||
<P>Note that this is NOT the compute used by thermodynamic output (see
|
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|
|
@ -119,15 +127,11 @@ calculated by this fix is "extensive".
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</P>
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<P>This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
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</P>
|
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<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This fix is part of the "user-eff" package. It is only enabled if
|
||||
LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
<P><A HREF = "fix_langevin.html">fix langevin/eff</A>, <A HREF = "fix_nh.html">fix nvt/eff</A>,
|
||||
<P><A HREF = "fix_langevin.html">fix langevin</A>, <A HREF = "fix_nh.html">fix nvt</A>,
|
||||
<A HREF = "fix_modify.html">fix_modify</A>
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</P>
|
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<P><B>Default:</B> none
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||||
|
|
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|
|
@ -6,14 +6,14 @@
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|
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:line
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fix temp/rescale/eff command :h3
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fix temp/rescale command :h3
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|
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[Syntax:]
|
||||
|
||||
fix ID group-ID temp/rescale/eff N Tstart Tstop window fraction :pre
|
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fix ID group-ID temp/rescale N Tstart Tstop window fraction :pre
|
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|
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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
|
||||
temp/rescale = style name of this fix command
|
||||
N = perform rescaling every N steps
|
||||
Tstart,Tstop = desired temperature at start/end of run (temperature units)
|
||||
window = only rescale if temperature is outside this window (temperature units)
|
||||
|
|
@ -21,15 +21,21 @@ fraction = rescale to target temperature by this fraction :ul
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|||
|
||||
[Examples:]
|
||||
|
||||
fix 3 flow temp/rescale/eff 10 1.0 100.0 0.02 1.0 :pre
|
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fix 3 flow temp/rescale 100 1.0 1.1 0.02 0.5
|
||||
fix 3 boundary temp/rescale 1 1.0 1.5 0.05 1.0
|
||||
fix 3 boundary temp/rescale 1 1.0 1.5 0.05 1.0 :pre
|
||||
|
||||
[Description:]
|
||||
|
||||
Reset the temperature of a group of atoms by explicitly rescaling
|
||||
their velocities.
|
||||
|
||||
The rescaling is applied to the translational degrees of freedom
|
||||
for all particles, and the electronic radial degrees of freedom. The translational degrees of freedom can also have a bias velocity removed from them before thermostatting takes place; see the description below.
|
||||
The rescaling is applied to only the translational degrees of freedom
|
||||
for the particles, which is an important consideration if extended
|
||||
spherical or aspherical particles which have rotational degrees of
|
||||
freedom are being thermostatted with this fix. The translational
|
||||
degrees of freedom can also have a bias velocity removed from them
|
||||
before thermostatting takes place; see the description below.
|
||||
|
||||
Rescaling is performed every N timesteps. The target temperature is a
|
||||
ramped value between the {Tstart} and {Tstop} temperatures at the
|
||||
|
|
@ -42,14 +48,15 @@ difference between the actual and desired temperature. E.g. if
|
|||
{fraction} = 1.0, the temperature is reset to exactly the desired
|
||||
value.
|
||||
|
||||
IMPORTANT NOTE: Unlike the "fix nvt/eff"_fix_nh.html command which
|
||||
IMPORTANT NOTE: Unlike the "fix nvt"_fix_nh.html command which
|
||||
performs Nose/Hoover thermostatting AND time integration, this fix
|
||||
does NOT perform time integration. It only modifies velocities to
|
||||
effect thermostatting. Thus you must use a separate time integration
|
||||
fix, like "fix nve/eff"_fix_nve_eff.html to actually update the positions of atoms using the modified velocities. Likewise, this fix should not
|
||||
fix, like "fix nve"_fix_nve.html to actually update the positions of
|
||||
atoms using the modified velocities. Likewise, this fix should not
|
||||
normally be used on atoms that also have their temperature controlled
|
||||
by another fix - e.g. by "fix nvt/eff"_fix_nh.html or "fix
|
||||
langevin/eff"_fix_langevin_eff.html commands.
|
||||
by another fix - e.g. by "fix nvt"_fix_nh.html or "fix
|
||||
langevin"_fix_langevin.html commands.
|
||||
|
||||
See "this howto section"_Section_howto.html#4_16 of the manual for a
|
||||
discussion of different ways to compute temperature and perform
|
||||
|
|
@ -59,9 +66,10 @@ This fix computes a temperature each timestep. To do this, the fix
|
|||
creates its own compute of style "temp", as if one of this command had
|
||||
been issued:
|
||||
|
||||
compute fix-ID_temp group-ID temp/eff :pre
|
||||
compute fix-ID_temp group-ID temp :pre
|
||||
|
||||
See the "compute temp/eff"_compute_temp_eff.html for details. Note that the ID of the new compute is the fix-ID + underscore + "temp", and the
|
||||
See the "compute temp"_compute_temp.html for details. Note that the
|
||||
ID of the new compute is the fix-ID + underscore + "temp", and the
|
||||
group for the new compute is the same as the fix group.
|
||||
|
||||
Note that this is NOT the compute used by thermodynamic output (see
|
||||
|
|
@ -116,15 +124,11 @@ This fix can ramp its target temperature over multiple runs, using the
|
|||
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
This fix is part of the "user-eff" package. It is only enabled if
|
||||
LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#2_3 section for more info.
|
||||
[Restrictions:] none
|
||||
|
||||
[Related commands:]
|
||||
|
||||
"fix langevin/eff"_fix_langevin.html, "fix nvt/eff"_fix_nh.html,
|
||||
"fix langevin"_fix_langevin.html, "fix nvt"_fix_nh.html,
|
||||
"fix_modify"_fix_modify.html
|
||||
|
||||
[Default:] none
|
||||
|
|
|
|||
|
|
@ -0,0 +1,135 @@
|
|||
<HTML>
|
||||
<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
|
||||
</CENTER>
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
<HR>
|
||||
|
||||
<H3>fix temp/rescale/eff command
|
||||
</H3>
|
||||
<P><B>Syntax:</B>
|
||||
</P>
|
||||
<PRE>fix ID group-ID temp/rescale/eff N Tstart Tstop window fraction
|
||||
</PRE>
|
||||
<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
|
||||
<LI>temp/rescale/eff = style name of this fix command
|
||||
<LI>N = perform rescaling every N steps
|
||||
<LI>Tstart,Tstop = desired temperature at start/end of run (temperature units)
|
||||
<LI>window = only rescale if temperature is outside this window (temperature units)
|
||||
<LI>fraction = rescale to target temperature by this fraction
|
||||
</UL>
|
||||
<P><B>Examples:</B>
|
||||
</P>
|
||||
<PRE>fix 3 flow temp/rescale/eff 10 1.0 100.0 0.02 1.0
|
||||
</PRE>
|
||||
<P><B>Description:</B>
|
||||
</P>
|
||||
<P>Reset the temperature of a group of atoms by explicitly rescaling
|
||||
their velocities.
|
||||
</P>
|
||||
<P>The rescaling is applied to the translational degrees of freedom
|
||||
for all particles, and the electronic radial degrees of freedom. The translational degrees of freedom can also have a bias velocity removed from them before thermostatting takes place; see the description below.
|
||||
</P>
|
||||
<P>Rescaling is performed every N timesteps. The target temperature is a
|
||||
ramped value between the <I>Tstart</I> and <I>Tstop</I> temperatures at the
|
||||
beginning and end of the run.
|
||||
</P>
|
||||
<P>Rescaling is only performed if the difference between the current and
|
||||
desired temperatures is greater than the <I>window</I> value. The amount
|
||||
of rescaling that is applied is a <I>fraction</I> (from 0.0 to 1.0) of the
|
||||
difference between the actual and desired temperature. E.g. if
|
||||
<I>fraction</I> = 1.0, the temperature is reset to exactly the desired
|
||||
value.
|
||||
</P>
|
||||
<P>IMPORTANT NOTE: Unlike the <A HREF = "fix_nh.html">fix nvt/eff</A> command which
|
||||
performs Nose/Hoover thermostatting AND time integration, this fix
|
||||
does NOT perform time integration. It only modifies velocities to
|
||||
effect thermostatting. Thus you must use a separate time integration
|
||||
fix, like <A HREF = "fix_nve_eff.html">fix nve/eff</A> to actually update the positions of atoms using the modified velocities. Likewise, this fix should not
|
||||
normally be used on atoms that also have their temperature controlled
|
||||
by another fix - e.g. by <A HREF = "fix_nh.html">fix nvt/eff</A> or <A HREF = "fix_langevin_eff.html">fix
|
||||
langevin/eff</A> commands.
|
||||
</P>
|
||||
<P>See <A HREF = "Section_howto.html#4_16">this howto section</A> of the manual for a
|
||||
discussion of different ways to compute temperature and perform
|
||||
thermostatting.
|
||||
</P>
|
||||
<P>This fix computes a temperature each timestep. To do this, the fix
|
||||
creates its own compute of style "temp", as if one of this command had
|
||||
been issued:
|
||||
</P>
|
||||
<PRE>compute fix-ID_temp group-ID temp/eff
|
||||
</PRE>
|
||||
<P>See the <A HREF = "compute_temp_eff.html">compute temp/eff</A> for details. Note that the ID of the new compute is the fix-ID + underscore + "temp", and the
|
||||
group for the new compute is the same as the fix group.
|
||||
</P>
|
||||
<P>Note that this is NOT the compute used by thermodynamic output (see
|
||||
the <A HREF = "thermo_style.html">thermo_style</A> command) with ID = <I>thermo_temp</I>.
|
||||
This means you can change the attributes of this fix's temperature
|
||||
(e.g. its degrees-of-freedom) via the
|
||||
<A HREF = "compute_modify.html">compute_modify</A> command or print this temperature
|
||||
during thermodynamic output via the <A HREF = "thermo_style.html">thermo_style
|
||||
custom</A> command using the appropriate compute-ID.
|
||||
It also means that changing attributes of <I>thermo_temp</I> will have no
|
||||
effect on this fix.
|
||||
</P>
|
||||
<P>Like other fixes that perform thermostatting, this fix can be used
|
||||
with <A HREF = "compute.html">compute commands</A> that calculate a temperature
|
||||
after removing a "bias" from the atom velocities. E.g. removing the
|
||||
center-of-mass velocity from a group of atoms or only calculating
|
||||
temperature on the x-component of velocity or only calculating
|
||||
temperature for atoms in a geometric region. This is not done by
|
||||
default, but only if the <A HREF = "fix_modify.html">fix_modify</A> command is used
|
||||
to assign a temperature compute to this fix that includes such a bias
|
||||
term. See the doc pages for individual <A HREF = "compute.html">compute
|
||||
commands</A> to determine which ones include a bias. In
|
||||
this case, the thermostat works in the following manner: the current
|
||||
temperature is calculated taking the bias into account, bias is
|
||||
removed from each atom, thermostatting is performed on the remaining
|
||||
thermal degrees of freedom, and the bias is added back in.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>.
|
||||
</P>
|
||||
<P>The <A HREF = "fix_modify.html">fix_modify</A> <I>temp</I> option is supported by this
|
||||
fix. You can use it to assign a temperature <A HREF = "compute.html">compute</A>
|
||||
you have defined to this fix which will be used in its thermostatting
|
||||
procedure, as described above. For consistency, the group used by
|
||||
this fix and by the compute should be the same.
|
||||
</P>
|
||||
<P>The <A HREF = "fix_modify.html">fix_modify</A> <I>energy</I> option is supported by this
|
||||
fix to add the energy change implied by a velocity rescaling to the
|
||||
system's potential energy as part of <A HREF = "thermo_style.html">thermodynamic
|
||||
output</A>.
|
||||
</P>
|
||||
<P>This fix computes a global scalar which can be accessed by various
|
||||
<A HREF = "Section_howto.html#4_15">output commands</A>. The scalar is the
|
||||
cummulative energy change due to this fix. The scalar value
|
||||
calculated by this fix is "extensive".
|
||||
</P>
|
||||
<P>This fix can ramp its target temperature over multiple runs, using the
|
||||
<I>start</I> and <I>stop</I> keywords of the <A HREF = "run.html">run</A> command. See the
|
||||
<A HREF = "run.html">run</A> command for details of how to do this.
|
||||
</P>
|
||||
<P>This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This fix is part of the "user-eff" package. It is only enabled if
|
||||
LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
<P><A HREF = "fix_langevin.html">fix langevin/eff</A>, <A HREF = "fix_nh.html">fix nvt/eff</A>,
|
||||
<A HREF = "fix_modify.html">fix_modify</A>
|
||||
</P>
|
||||
<P><B>Default:</B> none
|
||||
</P>
|
||||
</HTML>
|
||||
|
|
@ -0,0 +1,130 @@
|
|||
"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 temp/rescale/eff command :h3
|
||||
|
||||
[Syntax:]
|
||||
|
||||
fix ID group-ID temp/rescale/eff N Tstart Tstop window fraction :pre
|
||||
|
||||
ID, group-ID are documented in "fix"_fix.html command
|
||||
temp/rescale/eff = style name of this fix command
|
||||
N = perform rescaling every N steps
|
||||
Tstart,Tstop = desired temperature at start/end of run (temperature units)
|
||||
window = only rescale if temperature is outside this window (temperature units)
|
||||
fraction = rescale to target temperature by this fraction :ul
|
||||
|
||||
[Examples:]
|
||||
|
||||
fix 3 flow temp/rescale/eff 10 1.0 100.0 0.02 1.0 :pre
|
||||
|
||||
[Description:]
|
||||
|
||||
Reset the temperature of a group of atoms by explicitly rescaling
|
||||
their velocities.
|
||||
|
||||
The rescaling is applied to the translational degrees of freedom
|
||||
for all particles, and the electronic radial degrees of freedom. The translational degrees of freedom can also have a bias velocity removed from them before thermostatting takes place; see the description below.
|
||||
|
||||
Rescaling is performed every N timesteps. The target temperature is a
|
||||
ramped value between the {Tstart} and {Tstop} temperatures at the
|
||||
beginning and end of the run.
|
||||
|
||||
Rescaling is only performed if the difference between the current and
|
||||
desired temperatures is greater than the {window} value. The amount
|
||||
of rescaling that is applied is a {fraction} (from 0.0 to 1.0) of the
|
||||
difference between the actual and desired temperature. E.g. if
|
||||
{fraction} = 1.0, the temperature is reset to exactly the desired
|
||||
value.
|
||||
|
||||
IMPORTANT NOTE: Unlike the "fix nvt/eff"_fix_nh.html command which
|
||||
performs Nose/Hoover thermostatting AND time integration, this fix
|
||||
does NOT perform time integration. It only modifies velocities to
|
||||
effect thermostatting. Thus you must use a separate time integration
|
||||
fix, like "fix nve/eff"_fix_nve_eff.html to actually update the positions of atoms using the modified velocities. Likewise, this fix should not
|
||||
normally be used on atoms that also have their temperature controlled
|
||||
by another fix - e.g. by "fix nvt/eff"_fix_nh.html or "fix
|
||||
langevin/eff"_fix_langevin_eff.html commands.
|
||||
|
||||
See "this howto section"_Section_howto.html#4_16 of the manual for a
|
||||
discussion of different ways to compute temperature and perform
|
||||
thermostatting.
|
||||
|
||||
This fix computes a temperature each timestep. To do this, the fix
|
||||
creates its own compute of style "temp", as if one of this command had
|
||||
been issued:
|
||||
|
||||
compute fix-ID_temp group-ID temp/eff :pre
|
||||
|
||||
See the "compute temp/eff"_compute_temp_eff.html for details. Note that the ID of the new compute is the fix-ID + underscore + "temp", and the
|
||||
group for the new compute is the same as the fix group.
|
||||
|
||||
Note that this is NOT the compute used by thermodynamic output (see
|
||||
the "thermo_style"_thermo_style.html command) with ID = {thermo_temp}.
|
||||
This means you can change the attributes of this fix's temperature
|
||||
(e.g. its degrees-of-freedom) via the
|
||||
"compute_modify"_compute_modify.html command or print this temperature
|
||||
during thermodynamic output via the "thermo_style
|
||||
custom"_thermo_style.html command using the appropriate compute-ID.
|
||||
It also means that changing attributes of {thermo_temp} will have no
|
||||
effect on this fix.
|
||||
|
||||
Like other fixes that perform thermostatting, this fix can be used
|
||||
with "compute commands"_compute.html that calculate a temperature
|
||||
after removing a "bias" from the atom velocities. E.g. removing the
|
||||
center-of-mass velocity from a group of atoms or only calculating
|
||||
temperature on the x-component of velocity or only calculating
|
||||
temperature for atoms in a geometric region. This is not done by
|
||||
default, but only if the "fix_modify"_fix_modify.html command is used
|
||||
to assign a temperature compute to this fix that includes such a bias
|
||||
term. See the doc pages for individual "compute
|
||||
commands"_compute.html to determine which ones include a bias. In
|
||||
this case, the thermostat works in the following manner: the current
|
||||
temperature is calculated taking the bias into account, bias is
|
||||
removed from each atom, thermostatting is performed on the remaining
|
||||
thermal degrees of freedom, and the bias is added back in.
|
||||
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html.
|
||||
|
||||
The "fix_modify"_fix_modify.html {temp} option is supported by this
|
||||
fix. You can use it to assign a temperature "compute"_compute.html
|
||||
you have defined to this fix which will be used in its thermostatting
|
||||
procedure, as described above. For consistency, the group used by
|
||||
this fix and by the compute should be the same.
|
||||
|
||||
The "fix_modify"_fix_modify.html {energy} option is supported by this
|
||||
fix to add the energy change implied by a velocity rescaling to the
|
||||
system's potential energy as part of "thermodynamic
|
||||
output"_thermo_style.html.
|
||||
|
||||
This fix computes a global scalar which can be accessed by various
|
||||
"output commands"_Section_howto.html#4_15. The scalar is the
|
||||
cummulative energy change due to this fix. The scalar value
|
||||
calculated by this fix is "extensive".
|
||||
|
||||
This fix can ramp its target temperature over multiple runs, using the
|
||||
{start} and {stop} keywords of the "run"_run.html command. See the
|
||||
"run"_run.html command for details of how to do this.
|
||||
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
This fix is part of the "user-eff" package. It is only enabled if
|
||||
LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#2_3 section for more info.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
"fix langevin/eff"_fix_langevin.html, "fix nvt/eff"_fix_nh.html,
|
||||
"fix_modify"_fix_modify.html
|
||||
|
||||
[Default:] none
|
||||
Loading…
Reference in New Issue