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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@484 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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pscrozi 2007-04-13 15:43:08 +00:00
parent b9f2d23fa7
commit 7a44ec4c1f
2 changed files with 14 additions and 12 deletions
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13
doc/fix_rigid.html
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@ -69,14 +69,15 @@ includes all the desired rigid bodies. LAMMPS will allow multiple
rigid fixes to be defined, but it is more expensive. rigid fixes to be defined, but it is more expensive.
</P> </P>
<P>The degrees-of-freedom removed by rigid bodies are accounted for in <P>The degrees-of-freedom removed by rigid bodies are accounted for in
temperature and pressure computations. Similary, the rigid body temperature and pressure computations. Similary, the rigid body
contribution to the pressure virial is also accounted for. The latter contribution to the pressure virial is also accounted for. The latter
is only correct if forces within the bodies have been turned off, and is only correct if forces within the bodies have been turned off, and
there is only a single fix rigid defined. For each linear rigid body there is only a single fix rigid defined. For each linear rigid body
of three or more atoms, one degree-of-freedom must be added using a of three or more atoms, one degree-of-freedom must be subtracted using
<A HREF = "compute_modify.html">compute_modify</A> command (i.e. for a simulation of 10 a compute_modify command (i.e. for a simulation of 10 such rigid
such rigid bodies, use "compute_modify mine extra -7", where 3 is the bodies, use "compute_modify thermo_temp extra 13", after the
default setting and -10 degrees-of-freedom are subtracted). thermo_style command, where 3 is the default setting and an additional
10 degrees-of-freedom are subtracted).
</P> </P>
<P>Note that this fix uses constant-energy integration, so you may need <P>Note that this fix uses constant-energy integration, so you may need
to impose additional constraints to control the temperature of an to impose additional constraints to control the temperature of an

13
doc/fix_rigid.txt
View File

@ -62,14 +62,15 @@ includes all the desired rigid bodies. LAMMPS will allow multiple
rigid fixes to be defined, but it is more expensive. rigid fixes to be defined, but it is more expensive.
The degrees-of-freedom removed by rigid bodies are accounted for in The degrees-of-freedom removed by rigid bodies are accounted for in
temperature and pressure computations. Similary, the rigid body temperature and pressure computations. Similary, the rigid body
contribution to the pressure virial is also accounted for. The latter contribution to the pressure virial is also accounted for. The latter
is only correct if forces within the bodies have been turned off, and is only correct if forces within the bodies have been turned off, and
there is only a single fix rigid defined. For each linear rigid body there is only a single fix rigid defined. For each linear rigid body
of three or more atoms, one degree-of-freedom must be added using a of three or more atoms, one degree-of-freedom must be subtracted using
"compute_modify"_compute_modify.html command (i.e. for a simulation of 10 a compute_modify command (i.e. for a simulation of 10 such rigid
such rigid bodies, use "compute_modify mine extra -7", where 3 is the bodies, use "compute_modify thermo_temp extra 13", after the
default setting and -10 degrees-of-freedom are subtracted). thermo_style command, where 3 is the default setting and an additional
10 degrees-of-freedom are subtracted).
Note that this fix uses constant-energy integration, so you may need Note that this fix uses constant-energy integration, so you may need
to impose additional constraints to control the temperature of an to impose additional constraints to control the temperature of an