git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4802 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-09-16 14:54:52 +00:00
parent a4b092afd8
commit 15c7a0e217
2 changed files with 26 additions and 22 deletions

View File

@ -36,10 +36,11 @@
<I>precision</I> arg = power-of-10 value from 10 to 1000000
<I>region</I> arg = region-ID or "none"
<I>scale</I> arg = <I>yes</I> or <I>no</I>
<I>sort</I> arg = <I>off</I> or 0 or N
<I>sort</I> arg = <I>off</I> or <I>id</I> or N or -N
off = no sorting of per-atom lines within a snapshot
0 = sort per-atom lines by atom ID
N = sort per-atom lines by the Nth column
id = sort per-atom lines by atom ID
N = sort per-atom lines in ascending order by the Nth column
-N = sort per-atom lines in descending order by the Nth column
<I>thresh</I> args = attribute operation value
attribute = same attributes (x,fy,etotal,sxx,etc) used by dump custom style
operation = "<" or "<=" or ">" or ">=" or "==" or "!="
@ -177,16 +178,17 @@ snapshot are sorted or not. A sort value of <I>off</I> means they will
typically be written in indeterminate order, either in serial or
parallel. This is the case even in serial if the <A HREF = "atom_modify.html">atom_modify
sort</A> option is turned on, which it is by default, to
improve performance. A sort value of 0 means sort the output by atom
ID. A sort value of N means sort the output by the value in the Nth
column of per-atom info. The dump <I>local</I> style cannot be sorted by
atom ID, since there are typically multiple lines of output per atom.
Some dump styles, such as <I>dcd</I> and <I>xtc</I>, require sorting by atom
ID to format the output file correctly.
improve performance. A sort value of <I>id</I> means sort the output by
atom ID. A sort value of N or -N means sort the output by the value
in the Nth column of per-atom info in either ascending or descending
order. The dump <I>local</I> style cannot be sorted by atom ID, since
there are typically multiple lines of output per atom. Some dump
styles, such as <I>dcd</I> and <I>xtc</I>, require sorting by atom ID to format
the output file correctly.
</P>
<P>IMPORTANT NOTE: Unless it is required by the dump style, sorting dump
file output requires extra overhead in terms of CPU and communication
cost, as well as memory.
cost, as well as memory, versus unsorted output.
</P>
<P>The <I>thresh</I> keyword only applies to the dump <I>custom</I> and <I>cfg</I>
styles. Multiple thresholds can be specified. Specifying "none"
@ -229,7 +231,7 @@ box size stored with the snapshot.
<LI>region = none
<LI>scale = yes
<LI>sort = off for dump styles <I>atom</I>, <I>custom</I>, <I>cfg</I>, and <I>local</I>
<LI>sort = 0 for dump styles <I>dcd</I>, <I>xtc</I>, and <I>xyz</I> meaning sort by atom ID
<LI>sort = id for dump styles <I>dcd</I>, <I>xtc</I>, and <I>xyz</I>
<LI>thresh = none
<LI>unwrap = no
</UL>

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@ -30,10 +30,11 @@ keyword = {append} or {every} or {flush} or {format} or {image} or {label} or {p
{precision} arg = power-of-10 value from 10 to 1000000
{region} arg = region-ID or "none"
{scale} arg = {yes} or {no}
{sort} arg = {off} or 0 or N
{sort} arg = {off} or {id} or N or -N
off = no sorting of per-atom lines within a snapshot
0 = sort per-atom lines by atom ID
N = sort per-atom lines by the Nth column
id = sort per-atom lines by atom ID
N = sort per-atom lines in ascending order by the Nth column
-N = sort per-atom lines in descending order by the Nth column
{thresh} args = attribute operation value
attribute = same attributes (x,fy,etotal,sxx,etc) used by dump custom style
operation = "<" or "<=" or ">" or ">=" or "==" or "!="
@ -170,16 +171,17 @@ snapshot are sorted or not. A sort value of {off} means they will
typically be written in indeterminate order, either in serial or
parallel. This is the case even in serial if the "atom_modify
sort"_atom_modify.html option is turned on, which it is by default, to
improve performance. A sort value of 0 means sort the output by atom
ID. A sort value of N means sort the output by the value in the Nth
column of per-atom info. The dump {local} style cannot be sorted by
atom ID, since there are typically multiple lines of output per atom.
Some dump styles, such as {dcd} and {xtc}, require sorting by atom
ID to format the output file correctly.
improve performance. A sort value of {id} means sort the output by
atom ID. A sort value of N or -N means sort the output by the value
in the Nth column of per-atom info in either ascending or descending
order. The dump {local} style cannot be sorted by atom ID, since
there are typically multiple lines of output per atom. Some dump
styles, such as {dcd} and {xtc}, require sorting by atom ID to format
the output file correctly.
IMPORTANT NOTE: Unless it is required by the dump style, sorting dump
file output requires extra overhead in terms of CPU and communication
cost, as well as memory.
cost, as well as memory, versus unsorted output.
The {thresh} keyword only applies to the dump {custom} and {cfg}
styles. Multiple thresholds can be specified. Specifying "none"
@ -222,6 +224,6 @@ precision = 1000
region = none
scale = yes
sort = off for dump styles {atom}, {custom}, {cfg}, and {local}
sort = 0 for dump styles {dcd}, {xtc}, and {xyz} meaning sort by atom ID
sort = id for dump styles {dcd}, {xtc}, and {xyz}
thresh = none
unwrap = no :ul