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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1603 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-03-17 20:49:34 +00:00
parent d4f14ea20b
commit 8d4819a04d
10 changed files with 54 additions and 24 deletions
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15
doc/fix_addforce.html
View File

@ -34,10 +34,17 @@ a channel.
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
are relevant to this fix. No global scalar or vector or per-atom
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
commands</A>. No parameter of this fix can be
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
are relevant to this fix.
</P>
<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 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.
</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.
</P>
<P>The forces due to this fix are imposed during an energy minimization,
invoked by the <A HREF = "minimize.html">minimize</A> command.

15
doc/fix_addforce.txt
View File

@ -31,10 +31,17 @@ a channel.
No information about this fix is written to "binary restart
files"_restart.html. None of the "fix_modify"_fix_modify.html options
are relevant to this fix. No global scalar or vector or per-atom
quantities are stored by this fix for access by various "output
commands"_Section_howto.html#4_15. No parameter of this fix can be
used with the {start/stop} keywords of the "run"_run.html command.
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 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.
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command.
The forces due to this fix are imposed during an energy minimization,
invoked by the "minimize"_minimize.html command.

15
doc/fix_aveforce.html
View File

@ -45,10 +45,17 @@ value without adding in any additional force.
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
are relevant to this fix. No global scalar or vector or per-atom
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
commands</A>. No parameter of this fix can be
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
are relevant to this fix.
</P>
<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 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.
</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.
</P>
<P>The forces due to this fix are imposed during an energy minimization,
invoked by the <A HREF = "minimize.html">minimize</A> command.

15
doc/fix_aveforce.txt
View File

@ -42,10 +42,17 @@ value without adding in any additional force.
No information about this fix is written to "binary restart
files"_restart.html. None of the "fix_modify"_fix_modify.html options
are relevant to this fix. No global scalar or vector or per-atom
quantities are stored by this fix for access by various "output
commands"_Section_howto.html#4_15. No parameter of this fix can be
used with the {start/stop} keywords of the "run"_run.html command.
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 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.
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command.
The forces due to this fix are imposed during an energy minimization,
invoked by the "minimize"_minimize.html command.

2
doc/fix_langevin.html
View File

@ -72,7 +72,7 @@ performs Nose/Hoover thermostatting AND time integration, this fix
does NOT perform time integration. It only modifies forces to effect
thermostatting. Thus you must use a separate time integration fix,
like <A HREF = "fix_nve.html">fix nve</A> to actually update the velocities and
positions of atoms using the the modified forces. Likewise, this fix
positions of atoms using the modified forces. 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_nvt.html">fix nvt</A> or <A HREF = "fix_temp_rescale.html">fix
temp/rescale</A> commands.

2
doc/fix_langevin.txt
View File

@ -62,7 +62,7 @@ performs Nose/Hoover thermostatting AND time integration, this fix
does NOT perform time integration. It only modifies forces to effect
thermostatting. Thus you must use a separate time integration fix,
like "fix nve"_fix_nve.html to actually update the velocities and
positions of atoms using the the modified forces. Likewise, this fix
positions of atoms using the modified forces. Likewise, this fix
should not normally be used on atoms that also have their temperature
controlled by another fix - e.g. by "fix nvt"_fix_nvt.html or "fix
temp/rescale"_fix_temp_rescale.html commands.

2
doc/fix_setforce.html
View File

@ -44,7 +44,7 @@ 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 before the forces on individual atoms are
reset by the fix. The vector values calculated by this fix 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.
</P>

2
doc/fix_setforce.txt
View File

@ -41,7 +41,7 @@ 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 before the forces on individual atoms are
reset by the fix. The vector values calculated by this fix 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.

5
doc/fix_temp_berendsen.html
View File

@ -27,7 +27,7 @@
<P><B>Description:</B>
</P>
<P>Reset the temperature of a group of atoms by using a Berendsen
thermostat <A HREF = "#Berendsen">(Berendsen)</A>, which rescale their velocities
thermostat <A HREF = "#Berendsen">(Berendsen)</A>, which rescales their velocities
every timestep.
</P>
<P>The desired temperature at each timestep is a ramped value during the
@ -108,7 +108,8 @@ fix for access by various <A HREF = "Section_howto.html#4_15">output commands</A
</P>
<P><A HREF = "fix_nve.html">fix nve</A>, <A HREF = "fix_nvt.html">fix nvt</A>, <A HREF = "fix_temp_rescale.html">fix
temp/rescale</A>, <A HREF = "fix_langevin.html">fix langevin</A>,
<A HREF = "fix_modify.html">fix_modify</A>, <A HREF = "compute_temp.html">compute temp</A>
<A HREF = "fix_modify.html">fix_modify</A>, <A HREF = "compute_temp.html">compute temp</A>,
<A HREF = "fix_press_berendsen.html">fix press/berendsen</A>
</P>
<P><B>Default:</B> none
</P>

5
doc/fix_temp_berendsen.txt
View File

@ -24,7 +24,7 @@ fix 1 all nvt 300.0 300.0 100.0 :pre
[Description:]
Reset the temperature of a group of atoms by using a Berendsen
thermostat "(Berendsen)"_#Berendsen, which rescale their velocities
thermostat "(Berendsen)"_#Berendsen, which rescales their velocities
every timestep.
The desired temperature at each timestep is a ramped value during the
@ -105,7 +105,8 @@ This fix is not invoked during "energy minimization"_minimize.html.
"fix nve"_fix_nve.html, "fix nvt"_fix_nvt.html, "fix
temp/rescale"_fix_temp_rescale.html, "fix langevin"_fix_langevin.html,
"fix_modify"_fix_modify.html, "compute temp"_compute_temp.html
"fix_modify"_fix_modify.html, "compute temp"_compute_temp.html,
"fix press/berendsen"_fix_press_berendsen.html
[Default:] none