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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12708 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2014-11-17 21:59:20 +00:00
parent dbdde74aab
commit 2e4c2f9c47
2 changed files with 20 additions and 0 deletions
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10
doc/fix_deposit.html
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@ -122,6 +122,16 @@ insertion volume. The specified region must have been previously
defined with a <A HREF = "region.html">region</A> command. It must be defined with
side = <I>in</I>.
</P>
<P>IMPORTANT NOTE: LAMMPS checks that the specified region is wholly
inside the simulation box. It can do this correctly for orthonormal
simulation boxes. However for <A HREF = "Section_howto.html#howto_12">triclinic
boxes</A>, it only tests against the larger
orthonormal box that bounds the tilted simulation box. If the
specified region includes volume outside the tilted box, then an
insertion will likely fail, leading to a "lost atoms" error. Thus for
triclinic boxes you should insure the specified region is wholly
inside the simulation box.
</P>
<P>Individual atoms are inserted, unless the <I>mol</I> keyword is used. It
specifies a <I>template-ID</I> previously defined using the
<A HREF = "molecule.html">molecule</A> command, which reads files that define one or

10
doc/fix_deposit.txt
View File

@ -110,6 +110,16 @@ insertion volume. The specified region must have been previously
defined with a "region"_region.html command. It must be defined with
side = {in}.
IMPORTANT NOTE: LAMMPS checks that the specified region is wholly
inside the simulation box. It can do this correctly for orthonormal
simulation boxes. However for "triclinic
boxes"_Section_howto.html#howto_12, it only tests against the larger
orthonormal box that bounds the tilted simulation box. If the
specified region includes volume outside the tilted box, then an
insertion will likely fail, leading to a "lost atoms" error. Thus for
triclinic boxes you should insure the specified region is wholly
inside the simulation box.
Individual atoms are inserted, unless the {mol} keyword is used. It
specifies a {template-ID} previously defined using the
"molecule"_molecule.html command, which reads files that define one or