git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4428 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-08-03 23:38:55 +00:00
parent 02a6d3b155
commit 2ef708d91e
2 changed files with 31 additions and 14 deletions

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@ -13,7 +13,7 @@
</H3>
<P><B>Syntax:</B>
</P>
<PRE>delete_atoms style args
<PRE>delete_atoms style args keyword value ...
</PRE>
<UL><LI>style = <I>group</I> or <I>region</I> or <I>overlap</I> or <I>porosity</I>
@ -28,12 +28,18 @@
fraction = delete this fraction of atoms
seed = random number seed (positive integer)
</PRE>
<LI>zero or more keyword/value pairs may be appended
<LI>keyword = <I>compress</I>
<PRE> <I>compress</I> value = <I>no</I> or <I>yes</I>
</PRE>
</UL>
<P><B>Examples:</B>
</P>
<PRE>delete_atoms group edge
delete_atoms region sphere
delete_atoms region sphere compress no
delete_atoms overlap 0.3 all all
delete_atoms overlap 0.5 solvent colloid
delete_atoms porosity cube 0.1
@ -72,10 +78,12 @@ randomly. There is no guarantee that the exact fraction of atoms will
be deleted, or that the same atoms will be deleted when running on
different numbers of processors.
</P>
<P>After atoms are deleted, if the system is not molecular (no bonds),
then atom IDs are re-assigned so that they run from 1 to the number of
atoms in the system. This is not done for molecular systems, since it
would foul up the bond connectivity that has already been assigned.
<P>If the <I>compress</I> keyword is set to <I>yes</I>, then after atoms are
deleted, then atom IDs are re-assigned so that they run from 1 to the
number of atoms in the system. This is not done for molecular systems
(see the <A HREF = "atom_style.html">atom_style</A> command), regardless of the
<I>compress</I> setting, since it would foul up the bond connectivity that
has already been assigned.
</P>
<P><B>Restrictions:</B>
</P>
@ -98,6 +106,8 @@ deleting one atom in a bonded pair anyway.
</P>
<P><A HREF = "create_atoms.html">create_atoms</A>
</P>
<P><B>Default:</B> none
<P><B>Default:</B>
</P>
<P>The option defaults are compress = yes.
</P>
</HTML>

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@ -10,7 +10,7 @@ delete_atoms command :h3
[Syntax:]
delete_atoms style args :pre
delete_atoms style args keyword value ... :pre
style = {group} or {region} or {overlap} or {porosity} :ulb,l
{group} args = group-ID
@ -23,12 +23,15 @@ style = {group} or {region} or {overlap} or {porosity} :ulb,l
region-ID = region within which to perform deletions
fraction = delete this fraction of atoms
seed = random number seed (positive integer) :pre
zero or more keyword/value pairs may be appended :l
keyword = {compress} :l
{compress} value = {no} or {yes} :pre
:ule
[Examples:]
delete_atoms group edge
delete_atoms region sphere
delete_atoms region sphere compress no
delete_atoms overlap 0.3 all all
delete_atoms overlap 0.5 solvent colloid
delete_atoms porosity cube 0.1 :pre
@ -67,10 +70,12 @@ randomly. There is no guarantee that the exact fraction of atoms will
be deleted, or that the same atoms will be deleted when running on
different numbers of processors.
After atoms are deleted, if the system is not molecular (no bonds),
then atom IDs are re-assigned so that they run from 1 to the number of
atoms in the system. This is not done for molecular systems, since it
would foul up the bond connectivity that has already been assigned.
If the {compress} keyword is set to {yes}, then after atoms are
deleted, then atom IDs are re-assigned so that they run from 1 to the
number of atoms in the system. This is not done for molecular systems
(see the "atom_style"_atom_style.html command), regardless of the
{compress} setting, since it would foul up the bond connectivity that
has already been assigned.
[Restrictions:]
@ -93,4 +98,6 @@ deleting one atom in a bonded pair anyway.
"create_atoms"_create_atoms.html
[Default:] none
[Default:]
The option defaults are compress = yes.