git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3141 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-09-02 20:56:46 +00:00
parent 3f74bd3a40
commit 3b5f84c3f0
4 changed files with 20 additions and 4 deletions

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@ -101,7 +101,7 @@ collected from multiple processors. This is always the case for the
the <I>dcd</I> and <I>xtc</I> styles which always write atoms in sorted order.
So does the <I>xyz</I> style if the dump group is <I>all</I>. The <I>cfg</I> style
supports the <I>sort</I> option of the <A HREF = "dump_modify.html">dump_modify</A>
command which allows for allows sorting to be turned on or off.
command which allows sorting to be turned on or off.
</P>
<HR>

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@ -91,7 +91,7 @@ collected from multiple processors. This is always the case for the
the {dcd} and {xtc} styles which always write atoms in sorted order.
So does the {xyz} style if the dump group is {all}. The {cfg} style
supports the {sort} option of the "dump_modify"_dump_modify.html
command which allows for allows sorting to be turned on or off.
command which allows sorting to be turned on or off.
:line

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@ -19,7 +19,7 @@
<LI>one or more keyword/value pairs may be appended
<LI>keyword = <I>every</I> or <I>flush</I> or <I>format</I> or <I>image</I> or <I>precision</I> or <I>region</I> or <I>scale</I> or <I>thresh</I> or <I>unwrap</I>
<LI>keyword = <I>every</I> or <I>flush</I> or <I>format</I> or <I>image</I> or <I>precision</I> or <I>region</I> or <I>scale</I> or <I>sort</I> or <I>thresh</I> or <I>unwrap</I>
<PRE> <I>element</I> args = E1 E2 ... EN, where N = # of atom types
E1,...,EN = element name, e.g. C or Fe or Ga
@ -31,6 +31,7 @@
<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>yes</I> or <I>no</I>
<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 "!="
@ -110,6 +111,12 @@ value of <I>yes</I> means atom coords are written in normalized units from
value of <I>no</I> means they are written in absolute distance units
(e.g. Angstroms or sigma).
</P>
<P>The <I>sort</I> keyword applies only to the dump <I>cfg</I> style. A sort value
of <I>yes</I> means atoms will be written into the CFG file in sorted
order, sorted by the atom ID. A value of <I>no</I> means a sort will not
be performed and that atoms may be in an indeterminate order,
depending on which processor owns which atoms.
</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"
turns off all threshold criteria. If thresholds are specified, only
@ -147,6 +154,7 @@ box size stored with the snapshot.
<LI>precision = 1000
<LI>region = none
<LI>scale = yes
<LI>sort = no
<LI>thresh = none
<LI>unwrap = no
</UL>

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@ -14,7 +14,7 @@ dump_modify dump-ID keyword values ... :pre
dump-ID = ID of dump to modify :ulb,l
one or more keyword/value pairs may be appended :l
keyword = {every} or {flush} or {format} or {image} or {precision} or {region} or {scale} or {thresh} or {unwrap} :l
keyword = {every} or {flush} or {format} or {image} or {precision} or {region} or {scale} or {sort} or {thresh} or {unwrap} :l
{element} args = E1 E2 ... EN, where N = # of atom types
E1,...,EN = element name, e.g. C or Fe or Ga
{every} arg = N
@ -25,6 +25,7 @@ keyword = {every} or {flush} or {format} or {image} or {precision} or {region} o
{precision} arg = power-of-10 value from 10 to 1000000
{region} arg = region-ID or "none"
{scale} arg = {yes} or {no}
{sort} arg = {yes} or {no}
{thresh} args = attribute operation value
attribute = same attributes (x,fy,etotal,sxx,etc) used by dump custom style
operation = "<" or "<=" or ">" or ">=" or "==" or "!="
@ -103,6 +104,12 @@ value of {yes} means atom coords are written in normalized units from
value of {no} means they are written in absolute distance units
(e.g. Angstroms or sigma).
The {sort} keyword applies only to the dump {cfg} style. A sort value
of {yes} means atoms will be written into the CFG file in sorted
order, sorted by the atom ID. A value of {no} means a sort will not
be performed and that atoms may be in an indeterminate order,
depending on which processor owns which atoms.
The {thresh} keyword only applies to the dump {custom} and {cfg}
styles. Multiple thresholds can be specified. Specifying "none"
turns off all threshold criteria. If thresholds are specified, only
@ -140,5 +147,6 @@ image = no
precision = 1000
region = none
scale = yes
sort = no
thresh = none
unwrap = no :ul