forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2814 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
parent
d2932e8642
commit
acbd3c0081
|
@ -187,7 +187,7 @@ fix to add the energy change induced by Nose/Hoover barostatting to
|
|||
the system's potential energy as part of <A HREF = "thermo_style.html">thermodynamic
|
||||
output</A>.
|
||||
</P>
|
||||
<P>The potential energy change due to this fix is stored as a scalar
|
||||
<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
|
||||
|
|
|
@ -177,7 +177,7 @@ fix to add the energy change induced by Nose/Hoover barostatting to
|
|||
the system's potential energy as part of "thermodynamic
|
||||
output"_thermo_style.html.
|
||||
|
||||
The potential energy change due to this fix is stored as a scalar
|
||||
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
|
||||
|
|
|
@ -224,7 +224,7 @@ fix to add the energy change induced by Nose/Hoover thermostatting and
|
|||
barostatting to the system's potential energy as part of
|
||||
<A HREF = "thermo_style.html">thermodynamic output</A>.
|
||||
</P>
|
||||
<P>The potential energy change due to this fix is stored as a scalar
|
||||
<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
|
||||
|
|
|
@ -213,7 +213,7 @@ fix to add the energy change induced by Nose/Hoover thermostatting and
|
|||
barostatting to the system's potential energy as part of
|
||||
"thermodynamic output"_thermo_style.html.
|
||||
|
||||
The potential energy change due to this fix is stored as a scalar
|
||||
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
|
||||
|
|
|
@ -198,9 +198,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting and
|
|||
barostatting to the system's potential energy as part of
|
||||
<A HREF = "thermo_style.html">thermodynamic output</A>.
|
||||
</P>
|
||||
<P>The potential energy change due to this fix is stored as a scalar
|
||||
<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>.
|
||||
commands</A>. The scalar value calculated by
|
||||
this fix is "extensive", meaning it scales with the number of atoms in
|
||||
the simulation.
|
||||
</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>
|
||||
|
|
|
@ -187,9 +187,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting and
|
|||
barostatting to the system's potential energy as part of
|
||||
"thermodynamic output"_thermo_style.html.
|
||||
|
||||
The potential energy change due to this fix is stored as a scalar
|
||||
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.
|
||||
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 can ramp its target temperature and pressure over multiple
|
||||
runs, using the {start} and {stop} keywords of the "run"_run.html
|
||||
|
|
|
@ -200,9 +200,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting and
|
|||
barostatting to the system's potential energy as part of
|
||||
<A HREF = "thermo_style.html">thermodynamic output</A>.
|
||||
</P>
|
||||
<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>.
|
||||
<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.
|
||||
</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>
|
||||
|
|
|
@ -189,9 +189,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting and
|
|||
barostatting to the system's potential energy as part of
|
||||
"thermodynamic output"_thermo_style.html.
|
||||
|
||||
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 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 can ramp its target temperature and pressure over multiple
|
||||
runs, using the {start} and {stop} keywords of the "run"_run.html
|
||||
|
|
|
@ -133,7 +133,7 @@ fix to add the energy change induced by Nose/Hoover thermostatting to
|
|||
the system's potential energy as part of <A HREF = "thermo_style.html">thermodynamic
|
||||
output</A>.
|
||||
</P>
|
||||
<P>The potential energy change due to this fix is stored as a scalar
|
||||
<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
|
||||
|
|
|
@ -124,7 +124,7 @@ fix to add the energy change induced by Nose/Hoover thermostatting to
|
|||
the system's potential energy as part of "thermodynamic
|
||||
output"_thermo_style.html.
|
||||
|
||||
The potential energy change due to this fix is stored as a scalar
|
||||
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
|
||||
|
|
|
@ -122,9 +122,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting to
|
|||
the system's potential energy as part of <A HREF = "thermo_style.html">thermodynamic
|
||||
output</A>.
|
||||
</P>
|
||||
<P>The potential energy change due to this fix is stored as a scalar
|
||||
<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>.
|
||||
commands</A>. The scalar value calculated by
|
||||
this fix is "extensive", meaning it scales with the number of atoms in
|
||||
the simulation.
|
||||
</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
|
||||
|
|
|
@ -113,9 +113,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting to
|
|||
the system's potential energy as part of "thermodynamic
|
||||
output"_thermo_style.html.
|
||||
|
||||
The potential energy change due to this fix is stored as a scalar
|
||||
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.
|
||||
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 can ramp its target temperature over multiple runs, using the
|
||||
{start} and {stop} keywords of the "run"_run.html command. See the
|
||||
|
|
|
@ -141,9 +141,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting to
|
|||
the system's potential energy as part of <A HREF = "thermo_style.html">thermodynamic
|
||||
output</A>.
|
||||
</P>
|
||||
<P>The potential energy change due to this fix is stored as a scalar
|
||||
<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>.
|
||||
commands</A>. The scalar value calculated by
|
||||
this fix is "extensive", meaning it scales with the number of atoms in
|
||||
the simulation.
|
||||
</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
|
||||
|
|
|
@ -132,9 +132,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting to
|
|||
the system's potential energy as part of "thermodynamic
|
||||
output"_thermo_style.html.
|
||||
|
||||
The potential energy change due to this fix is stored as a scalar
|
||||
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.
|
||||
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 can ramp its target temperature over multiple runs, using the
|
||||
{start} and {stop} keywords of the "run"_run.html command. See the
|
||||
|
|
|
@ -125,9 +125,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting to
|
|||
the system's potential energy as part of <A HREF = "thermo_style.html">thermodynamic
|
||||
output</A>.
|
||||
</P>
|
||||
<P>The potential energy change due to this fix is stored as a scalar
|
||||
<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>.
|
||||
commands</A>. The scalar value calculated by
|
||||
this fix is "extensive", meaning it scales with the number of atoms in
|
||||
the simulation.
|
||||
</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
|
||||
|
|
|
@ -116,9 +116,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting to
|
|||
the system's potential energy as part of "thermodynamic
|
||||
output"_thermo_style.html.
|
||||
|
||||
The potential energy change due to this fix is stored as a scalar
|
||||
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.
|
||||
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 can ramp its target temperature over multiple runs, using the
|
||||
{start} and {stop} keywords of the "run"_run.html command. See the
|
||||
|
|
|
@ -114,20 +114,14 @@ this fix and by the compute should be the same.
|
|||
<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>. Note that because this fix is invoked
|
||||
every N steps and thermodynamic info is printed every M steps, that
|
||||
unless M is a multiple of N, the energy contribution will be zero.
|
||||
output</A>.
|
||||
</P>
|
||||
<P>The potential energy change due to this fix is stored as a scalar
|
||||
<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.
|
||||
</P>
|
||||
<P>The energy change can be printed as part of thermodynamic output via
|
||||
the keyword f_ID, where ID is the fix-ID of this fix. See the
|
||||
<A HREF = "thermo_style.html">thermo_style custom</A> command for details.
|
||||
</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.
|
||||
|
|
|
@ -111,20 +111,14 @@ 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. Note that because this fix is invoked
|
||||
every N steps and thermodynamic info is printed every M steps, that
|
||||
unless M is a multiple of N, the energy contribution will be zero.
|
||||
output"_thermo_style.html.
|
||||
|
||||
The potential energy change due to this fix is stored as a scalar
|
||||
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.
|
||||
|
||||
The energy change can be printed as part of thermodynamic output via
|
||||
the keyword f_ID, where ID is the fix-ID of this fix. See the
|
||||
"thermo_style custom"_thermo_style.html command for details.
|
||||
|
||||
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.
|
||||
|
|
Loading…
Reference in New Issue