Commit dd810206 authored by sjplimp's avatar sjplimp
Browse files

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3579 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 746a98d1
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+16 −16
Original line number Diff line number Diff line
@@ -44,13 +44,11 @@ compute 1 all property/local atype aatom2
</PRE>
<P><B>Description:</B>
</P>
<P>Define a computation that simply stores the specified attributes as
local vectors or as columns of a local array.  See the
<A HREF = "compute.html">compute</A> command for a discussion of what local
quantities mean, and how they differ from per-atom quantities.  Thus
if the input attributes are for bond information, the local vector or
array that is generated, when aggregated across all processors, will
contain information about all bonds in the system.
<P>Define a computation that stores the specified attributes as local
data so it can be accessed by other <A HREF = "Section_howto.html#4_15">output
commands</A>.  If the input attributes refer to
bond information, then the number of datums generated, aggregated
across all processors, equals the number of bonds in the system.
</P>
<P>If multiple input attributes are specified then they must all generate
the same amount of information, so that the resulting local array has
@@ -68,10 +66,11 @@ in the specified compute group. Likewise for angles, dihedrals, etc.
no consistent ordering of the entries within the local vector or array
from one timestep to the next.  The only consistency that is
guaranteed is that the ordering on a particular timestep will be the
same for local info generated by other compute commands.  For example,
output from the <A HREF = "compute_bond_local.html">compute bond/local</A> command
can be combined with bond atom indices from this command and output by
the <A HREF = "dump.html">dump local</A> command in a consistent way.
same for local vectors or arrays generated by other compute commands.
For example, output from the <A HREF = "compute_bond_local.html">compute
bond/local</A> command can be combined with bond
atom indices from this command and output by the <A HREF = "dump.html">dump
local</A> command in a consistent way.
</P>
<P>The <I>batom1</I> and <I>batom2</I> attributes refer the atom IDs of the 2 atoms
in each <A HREF = "bond_style.html">bond</A>.  The <I>btype</I> attribute refers to the
@@ -84,11 +83,12 @@ bond types is defined in the data file read by the
<P><B>Output info:</B>
</P>
<P>This compute calculates a local vector or local array depending on the
number of input values.  If a single input is specified, a local
vector is produced.  If two or more inputs are specified, a local
array is produced where the number of columns = the number of inputs.
The vector or array can be accessed by any command that uses local
values from a compute as input.  See <A HREF = "Section_howto.html#4_15">this
number of input values.  The length of the vector or number of rows in
the array is the number of bonds, angles, etc.  If a single input is
specified, a local vector is produced.  If two or more inputs are
specified, a local array is produced where the number of columns = the
number of inputs.  The vector or array can be accessed by any command
that uses local values from a compute as input.  See <A HREF = "Section_howto.html#4_15">this
section</A> for an overview of LAMMPS output
options.
</P>
+16 −16
Original line number Diff line number Diff line
@@ -37,13 +37,11 @@ compute 1 all property/local atype aatom2 :pre

[Description:]

Define a computation that simply stores the specified attributes as
local vectors or as columns of a local array.  See the
"compute"_compute.html command for a discussion of what local
quantities mean, and how they differ from per-atom quantities.  Thus
if the input attributes are for bond information, the local vector or
array that is generated, when aggregated across all processors, will
contain information about all bonds in the system.
Define a computation that stores the specified attributes as local
data so it can be accessed by other "output
commands"_Section_howto.html#4_15.  If the input attributes refer to
bond information, then the number of datums generated, aggregated
across all processors, equals the number of bonds in the system.

If multiple input attributes are specified then they must all generate
the same amount of information, so that the resulting local array has
@@ -61,10 +59,11 @@ Note that as atoms migrate from processor to processor, there will be
no consistent ordering of the entries within the local vector or array
from one timestep to the next.  The only consistency that is
guaranteed is that the ordering on a particular timestep will be the
same for local info generated by other compute commands.  For example,
output from the "compute bond/local"_compute_bond_local.html command
can be combined with bond atom indices from this command and output by
the "dump local"_dump.html command in a consistent way.
same for local vectors or arrays generated by other compute commands.
For example, output from the "compute
bond/local"_compute_bond_local.html command can be combined with bond
atom indices from this command and output by the "dump
local"_dump.html command in a consistent way.

The {batom1} and {batom2} attributes refer the atom IDs of the 2 atoms
in each "bond"_bond_style.html.  The {btype} attribute refers to the
@@ -77,11 +76,12 @@ bond types is defined in the data file read by the
[Output info:]

This compute calculates a local vector or local array depending on the
number of input values.  If a single input is specified, a local
vector is produced.  If two or more inputs are specified, a local
array is produced where the number of columns = the number of inputs.
The vector or array can be accessed by any command that uses local
values from a compute as input.  See "this
number of input values.  The length of the vector or number of rows in
the array is the number of bonds, angles, etc.  If a single input is
specified, a local vector is produced.  If two or more inputs are
specified, a local array is produced where the number of columns = the
number of inputs.  The vector or array can be accessed by any command
that uses local values from a compute as input.  See "this
section"_Section_howto.html#4_15 for an overview of LAMMPS output
options.