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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2927 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-06-30 19:02:43 +00:00
parent 92b6dd70c2
commit 1dd92af87f
2 changed files with 14 additions and 10 deletions
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12
doc/fix_rigid.html
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@ -165,7 +165,7 @@ the non-rigid atoms that surround one or more rigid bodies
(i.e. explicit solvent) by appropriate choice of groups in the compute
and fix commands for temperature and thermostatting.
</P>
<P>If you do calculate a temperature for the rigid bodies, the
<P>If you calculate a temperature for the rigid bodies, the
degrees-of-freedom removed by each rigid body are accounted for in the
temperature (and pressure) computation, but only if the temperature
group includes the entire rigid body. Rigid bodies in 3d have 6
@ -174,10 +174,12 @@ which only have 5. Rigid bodies in 2d have 3 degrees of freedom.
Note that linear rigid bodies in 3d of three or more atoms also have 5
degrees of freedom instead of 6, but LAMMPS will not detect this. So
you should use the <A HREF = "compute_modify.html">compute_modify</A> command to
subtract an additional degree of freedom per rigid body. You may also
wish to explicitly subtract additional degrees-of-freedom if you use
the <I>force</I> and <I>torque</I> keywords to eliminate certain motions of the
rigid body, as LAMMPS does not do this automatically.
subtract an additional degree of freedom per rigid body. A linear
rigid body means one consisting of point particles lying on a straight
line. You may also wish to explicitly subtract additional
degrees-of-freedom if you use the <I>force</I> and <I>torque</I> keywords to
eliminate certain motions of the rigid body, as LAMMPS does not do
this automatically.
</P>
<P>The rigid body contribution to the pressure of the system (virial) is
also accounted for by this fix.

12
doc/fix_rigid.txt
View File

@ -156,7 +156,7 @@ the non-rigid atoms that surround one or more rigid bodies
(i.e. explicit solvent) by appropriate choice of groups in the compute
and fix commands for temperature and thermostatting.
If you do calculate a temperature for the rigid bodies, the
If you calculate a temperature for the rigid bodies, the
degrees-of-freedom removed by each rigid body are accounted for in the
temperature (and pressure) computation, but only if the temperature
group includes the entire rigid body. Rigid bodies in 3d have 6
@ -165,10 +165,12 @@ which only have 5. Rigid bodies in 2d have 3 degrees of freedom.
Note that linear rigid bodies in 3d of three or more atoms also have 5
degrees of freedom instead of 6, but LAMMPS will not detect this. So
you should use the "compute_modify"_compute_modify.html command to
subtract an additional degree of freedom per rigid body. You may also
wish to explicitly subtract additional degrees-of-freedom if you use
the {force} and {torque} keywords to eliminate certain motions of the
rigid body, as LAMMPS does not do this automatically.
subtract an additional degree of freedom per rigid body. A linear
rigid body means one consisting of point particles lying on a straight
line. You may also wish to explicitly subtract additional
degrees-of-freedom if you use the {force} and {torque} keywords to
eliminate certain motions of the rigid body, as LAMMPS does not do
this automatically.
The rigid body contribution to the pressure of the system (virial) is
also accounted for by this fix.