git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3856 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-03-02 21:59:33 +00:00
parent 7ee1c0c9e7
commit f8fa87eb7a
68 changed files with 96 additions and 168 deletions

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@ -65,10 +65,8 @@ that uses global vector values from a compute as input. See <A HREF = "Section_
section</A> for an overview of LAMMPS output
options.
</P>
<P>The vector values calculated by this compute are "intensive", meaning
it is independent of the number of atoms in the simulation.
</P>
<P>The vector values will be in distance <A HREF = "units.html">units</A>.
<P>The vector values calculated by this compute are "intensive". The
vector values will be in distance <A HREF = "units.html">units</A>.
</P>
<P><B>Restrictions:</B> none
</P>

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@ -62,10 +62,8 @@ that uses global vector values from a compute as input. See "this
section"_Section_howto.html#4_15 for an overview of LAMMPS output
options.
The vector values calculated by this compute are "intensive", meaning
it is independent of the number of atoms in the simulation.
The vector values will be in distance "units"_units.html.
The vector values calculated by this compute are "intensive". The
vector values will be in distance "units"_units.html.
[Restrictions:] none

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@ -64,8 +64,7 @@ accessed by various <A HREF = "Section_howto.html#4_15">output commands</A>. Th
scalar is the potential energy discussed above. The vector is the
total force on the group of atoms before the forces on individual
atoms are changed by the fix. The scalar vector values calculated by
this fix are "extensive", meaning they scale with the number of atoms
in the simulation.
this fix are "extensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command.

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@ -55,8 +55,7 @@ accessed by various "output commands"_Section_howto.html#4_15. The
scalar is the potential energy discussed above. The vector is the
total force on the group of atoms before the forces on individual
atoms are changed by the fix. The scalar vector values calculated by
this fix are "extensive", meaning they scale with the number of atoms
in the simulation.
this fix are "extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command.

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@ -289,8 +289,7 @@ divided by the total count (not including missing counts), so that the
values in the 3rd column sum to 1.0.
</P>
<P>The vector and array values calculated by this fix are all treated as
"intensive", meaning they are independent of the number of atoms in
the simulation. If this is not the case, e.g. due to histogramming
"intensive". If this is not the case, e.g. due to histogramming
per-atom input values, then you will need to account for that when
interpreting the values produced by this fix.
</P>

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@ -277,8 +277,7 @@ divided by the total count (not including missing counts), so that the
values in the 3rd column sum to 1.0.
The vector and array values calculated by this fix are all treated as
"intensive", meaning they are independent of the number of atoms in
the simulation. If this is not the case, e.g. due to histogramming
"intensive". If this is not the case, e.g. due to histogramming
per-atom input values, then you will need to account for that when
interpreting the values produced by this fix.

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@ -301,8 +301,7 @@ quantities. When the array is accessed with an I that exceeds the
current number of layers, than a 0.0 is returned by the fix instead of
an error, since the number of layers can vary as a simulation runs,
depending on the simulation box size. The array values calculated by
this fix are "intensive", meaning they are independent of the number
of atoms in the simulation, since they are already normalized by the
this fix are "intensive", since they are already normalized by the
count of atoms in each layer.
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of

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@ -286,8 +286,7 @@ quantities. When the array is accessed with an I that exceeds the
current number of layers, than a 0.0 is returned by the fix instead of
an error, since the number of layers can vary as a simulation runs,
depending on the simulation box size. The array values calculated by
this fix are "intensive", meaning they are independent of the number
of atoms in the simulation, since they are already normalized by the
this fix are "intensive", since they are already normalized by the
count of atoms in each layer.
No parameter of this fix can be used with the {start/stop} keywords of

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@ -281,13 +281,11 @@ inputs.
<P>If the fix prouduces a scalar or vector, then the scalar and each
element of the vector may be either "intensive" or "extensive". If
the fix produces an array, then all elements in the array will be
either "intensive" or "extensive". Intensive means the value is
independent of the number of atoms in the simulation. Extensive means
the value scales with the number of atoms in the simulation. If a
compute or fix provides the value being time averaged, then the
compute or fix determines whether the value is intensive or extensive;
see the doc page for that compute or fix for further info. Values
produced by a variable are whatever the variable calculates.
either "intensive" or "extensive". If a compute or fix provides the
value being time averaged, then the compute or fix determines whether
the value is intensive or extensive; see the doc page for that compute
or fix for further info. Values produced by a variable are whatever
the variable calculates.
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy

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@ -269,13 +269,11 @@ inputs.
If the fix prouduces a scalar or vector, then the scalar and each
element of the vector may be either "intensive" or "extensive". If
the fix produces an array, then all elements in the array will be
either "intensive" or "extensive". Intensive means the value is
independent of the number of atoms in the simulation. Extensive means
the value scales with the number of atoms in the simulation. If a
compute or fix provides the value being time averaged, then the
compute or fix determines whether the value is intensive or extensive;
see the doc page for that compute or fix for further info. Values
produced by a variable are whatever the variable calculates.
either "intensive" or "extensive". If a compute or fix provides the
value being time averaged, then the compute or fix determines whether
the value is intensive or extensive; see the doc page for that compute
or fix for further info. Values produced by a variable are whatever
the variable calculates.
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy

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@ -66,8 +66,7 @@ are relevant to this fix.
various <A HREF = "Section_howto.html#4_15">output commands</A>. This is the total
force on the group of atoms before the forces on individual atoms are
changed by the fix. The vector values calculated by this fix are
"extensive", meaning they scale with the number of atoms in the
simulation.
"extensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command.

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@ -57,8 +57,7 @@ This fix computes a 3-vector of forces, which can be accessed by
various "output commands"_Section_howto.html#4_15. This is the total
force on the group of atoms before the forces on individual atoms are
changed by the fix. The vector values calculated by this fix are
"extensive", meaning they scale with the number of atoms in the
simulation.
"extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command.

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@ -152,8 +152,7 @@ second component of the vector is the cummulative number of swaps
attempted (whether accepted or rejected). Note that a swap "attempt"
only occurs when swap partners meeting the criteria described above
are found on a particular timestep. The vector values calculated by
this fix are "intensive", meaning they are independent of the number
of atoms in the simulation.
this fix are "intensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy

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@ -149,8 +149,7 @@ second component of the vector is the cummulative number of swaps
attempted (whether accepted or rejected). Note that a swap "attempt"
only occurs when swap partners meeting the criteria described above
are found on a particular timestep. The vector values calculated by
this fix are "intensive", meaning they are independent of the number
of atoms in the simulation.
this fix are "intensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy

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@ -48,8 +48,7 @@ are relevant to this fix.
<P>This fix computes a 3-vector of forces, which can be accessed by
various <A HREF = "Section_howto.html#4_15">output commands</A>. This is the total
force on the group of atoms by the drag force. The vector values
calculated by this fix are "extensive", meaning they scale with the
number of atoms in the simulation.
calculated by this fix are "extensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy

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@ -46,8 +46,7 @@ are relevant to this fix.
This fix computes a 3-vector of forces, which can be accessed by
various "output commands"_Section_howto.html#4_15. This is the total
force on the group of atoms by the drag force. The vector values
calculated by this fix are "extensive", meaning they scale with the
number of atoms in the simulation.
calculated by this fix are "extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy

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@ -73,8 +73,7 @@ are relevant to this fix.
The cumulative simulation time (in time units) is stored as the first
element of a vector. Both these quantities can be accessed by various
<A HREF = "Section_howto.html#4_15">output commands</A>. The scalar and vector
values calculated by this fix are "intensive", meaning they are
independent of the number of atoms in the simulation.
values calculated by this fix are "intensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy

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@ -69,8 +69,7 @@ The current timestep size is stored as a scalar quantity by this fix.
The cumulative simulation time (in time units) is stored as the first
element of a vector. Both these quantities can be accessed by various
"output commands"_Section_howto.html#4_15. The scalar and vector
values calculated by this fix are "intensive", meaning they are
independent of the number of atoms in the simulation.
values calculated by this fix are "intensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy

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@ -51,8 +51,7 @@ are relevant to this fix.
</P>
<P>The cummulative number of deleted atoms is stored as a scalar quantity
by this fix. This quantity can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar value is "intensive",
meaning it is independent of the number of atoms in the simulation.
commands</A>. The scalar value is "intensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy

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@ -48,8 +48,7 @@ are relevant to this fix.
The cummulative number of deleted atoms is stored as a scalar quantity
by this fix. This quantity can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value is "intensive",
meaning it is independent of the number of atoms in the simulation.
commands"_Section_howto.html#4_15. The scalar value is "intensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy

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@ -40,8 +40,7 @@ are relevant to this fix.
various <A HREF = "Section_howto.html#4_15">output commands</A>. This is the total
force on the group of atoms before the forces on individual atoms are
changed by the fix. The vector values calculated by this fix are
"extensive", meaning they scale with the number of atoms in the
simulation.
"extensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy

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@ -37,8 +37,7 @@ This fix computes a 3-vector of forces, which can be accessed by
various "output commands"_Section_howto.html#4_15. This is the total
force on the group of atoms before the forces on individual atoms are
changed by the fix. The vector values calculated by this fix are
"extensive", meaning they scale with the number of atoms in the
simulation.
"extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy

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@ -71,8 +71,7 @@ are relevant to this fix.
<P>This fix computes a scalar which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. This scalar is the most recent
value by which velocites were scaled. The scalar value calculated by
this fix is "intensive", meaning it is independent of the number of
atoms in the simulation.
this fix is "intensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy

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@ -68,8 +68,7 @@ are relevant to this fix.
This fix computes a scalar which can be accessed by various "output
commands"_Section_howto.html#4_15. This scalar is the most recent
value by which velocites were scaled. The scalar value calculated by
this fix is "intensive", meaning it is independent of the number of
atoms in the simulation.
this fix is "intensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy

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@ -144,8 +144,7 @@ with the indenter is K/3 (r - R)^3.
<P>This fix computes a scalar energy and a 3-vector of forces (on the
indenter), which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar and vector values
calculated by this fix are "extensive", meaning they scale with the
number of atoms in the simulation.
calculated by this fix are "extensive".
</P>
<P>This fix can adjust the indenter position and radius over multiple
runs, using the <I>start</I> and <I>stop</I> keywords of the <A HREF = "run.html">run</A>

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@ -135,8 +135,7 @@ with the indenter is K/3 (r - R)^3.
This fix computes a scalar energy and a 3-vector of forces (on the
indenter), which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar and vector values
calculated by this fix are "extensive", meaning they scale with the
number of atoms in the simulation.
calculated by this fix are "extensive".
This fix can adjust the indenter position and radius over multiple
runs, using the {start} and {stop} keywords of the "run"_run.html

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@ -173,9 +173,8 @@ setting the <I>tally</I> keyword to <I>yes</I>.
<P>The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation. Note that use of this option requires setting the
<I>tally</I> keyword to <I>yes</I>.
this fix is "extensive". Note that calculation of this quantity
requires setting the <I>tally</I> keyword to <I>yes</I>.
</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

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@ -163,9 +163,8 @@ setting the {tally} keyword to {yes}.
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation. Note that use of this option requires setting the
{tally} keyword to {yes}.
this fix is "extensive". Note that calculation of this quantity
requires setting the {tally} keyword to {yes}.
This fix can ramp its target temperature over multiple runs, using the
{start} and {stop} keywords of the "run"_run.html command. See the

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@ -190,8 +190,7 @@ output</A>.
<P>The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
this fix is "extensive".
</P>
<P>This fix can ramp its target pressure over multiple runs, using the
<I>start</I> and <I>stop</I> keywords of the <A HREF = "run.html">run</A> command. See the

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@ -180,8 +180,7 @@ output"_thermo_style.html.
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
this fix is "extensive".
This fix can ramp its target pressure over multiple runs, using the
{start} and {stop} keywords of the "run"_run.html command. See the

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@ -227,8 +227,7 @@ barostatting to the system's potential energy as part of
<P>The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
this fix is "extensive".
</P>
<P>This fix can ramp its target temperature and pressure over multiple
runs, using the <I>start</I> and <I>stop</I> keywords of the <A HREF = "run.html">run</A>

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@ -216,8 +216,7 @@ barostatting to the system's potential energy as part of
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
this fix is "extensive".
This fix can ramp its target temperature and pressure over multiple
runs, using the {start} and {stop} keywords of the "run"_run.html

View File

@ -201,8 +201,7 @@ barostatting to the system's potential energy as part of
<P>The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
this fix is "extensive".
</P>
<P>This fix can ramp its target temperature and pressure over multiple
runs, using the <I>start</I> and <I>stop</I> keywords of the <A HREF = "run.html">run</A>

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@ -190,8 +190,7 @@ barostatting to the system's potential energy as part of
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
this fix is "extensive".
This fix can ramp its target temperature and pressure over multiple
runs, using the {start} and {stop} keywords of the "run"_run.html

View File

@ -203,8 +203,7 @@ barostatting to the system's potential energy as part of
<P>The potential cummulative energy change due to this fix is stored as a
scalar quantity, which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
this fix is "extensive".
</P>
<P>This fix can ramp its target temperature and pressure over multiple
runs, using the <I>start</I> and <I>stop</I> keywords of the <A HREF = "run.html">run</A>

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@ -192,8 +192,7 @@ barostatting to the system's potential energy as part of
The potential cummulative energy change due to this fix is stored as a
scalar quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
this fix is "extensive".
This fix can ramp its target temperature and pressure over multiple
runs, using the {start} and {stop} keywords of the "run"_run.html

View File

@ -64,8 +64,7 @@ timestep in a velocity Verlet timestepping algorithm. This is a
cumulative quantity for the current run, but is re-initialized to
zero each time a run is performed. This value can be accessed by
various <A HREF = "Section_howto.html#4_15">output commands</A>. The scalar value
calculated by this fix is "extensive", meaning it scales with the
number of atoms in the simulation.
calculated by this fix is "extensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy

View File

@ -61,8 +61,7 @@ timestep in a velocity Verlet timestepping algorithm. This is a
cumulative quantity for the current run, but is re-initialized to
zero each time a run is performed. This value can be accessed by
various "output commands"_Section_howto.html#4_15. The scalar value
calculated by this fix is "extensive", meaning it scales with the
number of atoms in the simulation.
calculated by this fix is "extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy

View File

@ -151,8 +151,7 @@ output</A>.
<P>The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
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

View File

@ -142,8 +142,7 @@ output"_thermo_style.html.
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
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

View File

@ -125,8 +125,7 @@ output</A>.
<P>The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
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

View File

@ -116,8 +116,7 @@ output"_thermo_style.html.
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
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

View File

@ -144,8 +144,7 @@ output</A>.
<P>The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
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

View File

@ -135,8 +135,7 @@ output"_thermo_style.html.
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
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

View File

@ -128,8 +128,7 @@ output</A>.
<P>The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
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

View File

@ -119,8 +119,7 @@ output"_thermo_style.html.
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
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

View File

@ -129,8 +129,7 @@ boundary driving force to the system's potential energy as part of
<P>The potential energy change due to this fix is stored as a scalar
quantity, which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
this fix is "extensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy

View File

@ -126,8 +126,7 @@ boundary driving force to the system's potential energy as part of
The potential energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
this fix is "extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy

View File

@ -224,8 +224,7 @@ For the <I>single</I> keyword there is just one rigid body. For the
For the <I>group</I> keyword, the list of group IDs determines the ordering
of bodies.
</P>
<P>The array values calculated by this fix are "intensive", meaning they
are independent of the number of atoms in the simulation.
<P>The array values calculated by this fix are "intensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy

View File

@ -215,8 +215,7 @@ For the {single} keyword there is just one rigid body. For the
For the {group} keyword, the list of group IDs determines the ordering
of bodies.
The array values calculated by this fix are "intensive", meaning they
are independent of the number of atoms in the simulation.
The array values calculated by this fix are "intensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy

View File

@ -45,8 +45,7 @@ are relevant to this fix.
various <A HREF = "Section_howto.html#4_15">output commands</A>. This is the total
force on the group of atoms before the forces on individual atoms are
changed by the fix. The vector values calculated by this fix are
"extensive", meaning they scale with the number of atoms in the
simulation.
"extensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command.

View File

@ -42,8 +42,7 @@ This fix computes a 3-vector of forces, which can be accessed by
various "output commands"_Section_howto.html#4_15. This is the total
force on the group of atoms before the forces on individual atoms are
changed by the fix. The vector values calculated by this fix are
"extensive", meaning they scale with the number of atoms in the
simulation.
"extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command.

View File

@ -124,8 +124,7 @@ forces times displacement).
<P>The force is the total force on the group of atoms by the spring. In
the case of the <I>couple</I> style, it is the force on the fix group
(group-ID) or the negative of the force on the 2nd group (group-ID2).
The vector values calculated by this fix are "extensive", meaning they
scale with the number of atoms in the simulation.
The vector values calculated by this fix are "extensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy

View File

@ -115,8 +115,7 @@ forces times displacement).
The force is the total force on the group of atoms by the spring. In
the case of the {couple} style, it is the force on the fix group
(group-ID) or the negative of the force on the 2nd group (group-ID2).
The vector values calculated by this fix are "extensive", meaning they
scale with the number of atoms in the simulation.
The vector values calculated by this fix are "extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy

View File

@ -115,8 +115,7 @@ the spring, as a positive value if (r-R0) > 0 and a negative value if
(r-R0) < 0. This sign convention can be useful when using the spring
force to compute a potential of mean force (PMF).
</P>
<P>The scalar and vector values calculated by this fix are "extensive",
meaning they scale with the number of atoms in the simulation.
<P>The scalar and vector values calculated by this fix are "extensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command.

View File

@ -108,8 +108,7 @@ the spring, as a positive value if (r-R0) > 0 and a negative value if
(r-R0) < 0. This sign convention can be useful when using the spring
force to compute a potential of mean force (PMF).
The scalar and vector values calculated by this fix are "extensive",
meaning they scale with the number of atoms in the simulation.
The scalar and vector values calculated by this fix are "extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command.

View File

@ -119,8 +119,7 @@ output</A>.
<P>The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
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

View File

@ -116,8 +116,7 @@ output"_thermo_style.html.
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
this fix is "extensive", meaning it scales with the number of atoms in
the simulation.
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

View File

@ -115,8 +115,7 @@ the quantity are energy; see the <A HREF = "units.html">units</A> command for
details. This quantity can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>, such as <A HREF = "thermo_style.html">thermo_style
custom</A>. The scalar value calculated by this fix is
"intensive", meaning it is independent of the number of atoms in the
simulation.
"intensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy

View File

@ -105,8 +105,7 @@ the quantity are energy; see the "units"_units.html command for
details. This quantity can be accessed by various "output
commands"_Section_howto.html#4_15, such as "thermo_style
custom"_thermo_style.html. The scalar value calculated by this fix is
"intensive", meaning it is independent of the number of atoms in the
simulation.
"intensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy

View File

@ -159,8 +159,7 @@ energy. As a result of this, users may notice slight fluctuations in
the sum of the atomic and electronic subsystem energies reported at
the end of the timestep.
</P>
<P>The vector values calculated by this fix are "extensive",
meaning they scale with the number of atoms in the simulation.
<P>The vector values calculated by this fix are "extensive".
</P>
<P>IMPORTANT NOTE: The current implementation creates a copy of the
electron grid that overlays the entire simulation domain, for each

View File

@ -156,8 +156,7 @@ energy. As a result of this, users may notice slight fluctuations in
the sum of the atomic and electronic subsystem energies reported at
the end of the timestep.
The vector values calculated by this fix are "extensive",
meaning they scale with the number of atoms in the simulation.
The vector values calculated by this fix are "extensive".
IMPORTANT NOTE: The current implementation creates a copy of the
electron grid that overlays the entire simulation domain, for each

View File

@ -123,8 +123,7 @@ and accumlates thereafter, once every N steps. The units of the
quantity are momentum = mass*velocity. This quantity can be accessed
by various <A HREF = "Section_howto.html#4_15">output commands</A>, such as
<A HREF = "thermo_style.html">thermo_style custom</A>. The scalar value calculated
by this fix is "intensive", meaning it is independent of the number of
atoms in the simulation.
by this fix is "intensive".
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy

View File

@ -112,8 +112,7 @@ and accumlates thereafter, once every N steps. The units of the
quantity are momentum = mass*velocity. This quantity can be accessed
by various "output commands"_Section_howto.html#4_15, such as
"thermo_style custom"_thermo_style.html. The scalar value calculated
by this fix is "intensive", meaning it is independent of the number of
atoms in the simulation.
by this fix is "intensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy

View File

@ -192,15 +192,14 @@ output</A>.
<P>This fix computes a scalar energy and a 6-length vector of forces (one
force magnitude per wall), which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar and vector values
calculated by this fix are "extensive", meaning they scale with the
number of atoms in the simulation. Note that the scalar energy is the
sum of interactions with all defined walls. If you want the energy on
a per-wall basis, you need to use multiple fix wall commands. The 6
vector quantities are the force on the <I>xlo</I> wall, the <I>xhi</I> wall,
<I>ylo</I>, <I>yhi</I>, <I>zlo</I>, <I>zhi</I>. These values will only be non-zero if the
corresponding wall is defined. Note that an outward force on a wall
will be a negative value for <I>lo</I> walls and a positive value for <I>hi</I>
walls.
calculated by this fix are "extensive". Note that the scalar energy
is the sum of interactions with all defined walls. If you want the
energy on a per-wall basis, you need to use multiple fix wall
commands. The 6 vector quantities are the force on the <I>xlo</I> wall,
the <I>xhi</I> wall, <I>ylo</I>, <I>yhi</I>, <I>zlo</I>, <I>zhi</I>. These values will only be
non-zero if the corresponding wall is defined. Note that an outward
force on a wall will be a negative value for <I>lo</I> walls and a positive
value for <I>hi</I> walls.
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command.

View File

@ -181,15 +181,14 @@ output"_thermo_style.html.
This fix computes a scalar energy and a 6-length vector of forces (one
force magnitude per wall), which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar and vector values
calculated by this fix are "extensive", meaning they scale with the
number of atoms in the simulation. Note that the scalar energy is the
sum of interactions with all defined walls. If you want the energy on
a per-wall basis, you need to use multiple fix wall commands. The 6
vector quantities are the force on the {xlo} wall, the {xhi} wall,
{ylo}, {yhi}, {zlo}, {zhi}. These values will only be non-zero if the
corresponding wall is defined. Note that an outward force on a wall
will be a negative value for {lo} walls and a positive value for {hi}
walls.
calculated by this fix are "extensive". Note that the scalar energy
is the sum of interactions with all defined walls. If you want the
energy on a per-wall basis, you need to use multiple fix wall
commands. The 6 vector quantities are the force on the {xlo} wall,
the {xhi} wall, {ylo}, {yhi}, {zlo}, {zhi}. These values will only be
non-zero if the corresponding wall is defined. Note that an outward
force on a wall will be a negative value for {lo} walls and a positive
value for {hi} walls.
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command.

View File

@ -161,9 +161,8 @@ output</A>.
<P>This fix computes a scalar energy and a 3-length vector of forces,
which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. The scalar and vector values
calculated by this fix are "extensive", meaning they scale with the
number of atoms in the simulation. The scalar energy is the sum of
energy interactions for all particles interacting with the wall
calculated by this fix are "extensive". The scalar energy is the sum
of energy interactions for all particles interacting with the wall
represented by the region surface. The 3 vector quantities are the
x,y,z components of the total force acting on the wall due to the
particles.

View File

@ -158,9 +158,8 @@ output"_thermo_style.html.
This fix computes a scalar energy and a 3-length vector of forces,
which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar and vector values
calculated by this fix are "extensive", meaning they scale with the
number of atoms in the simulation. The scalar energy is the sum of
energy interactions for all particles interacting with the wall
calculated by this fix are "extensive". The scalar energy is the sum
of energy interactions for all particles interacting with the wall
represented by the region surface. The 3 vector quantities are the
x,y,z components of the total force acting on the wall due to the
particles.