git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11039 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-11-21 20:53:41 +00:00
parent d13600660d
commit 89768138fd
4 changed files with 43 additions and 2 deletions

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@ -13,6 +13,8 @@
</H3> </H3>
<H3><A HREF = "dump_image.html">dump image</A> command <H3><A HREF = "dump_image.html">dump image</A> command
</H3> </H3>
<H3><A HREF = "dump_image.html">dump movie</A> command
</H3>
<H3><A HREF = "dump_molfile.html">dump molfile</A> command <H3><A HREF = "dump_molfile.html">dump molfile</A> command
</H3> </H3>
<P><B>Syntax:</B> <P><B>Syntax:</B>

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@ -8,6 +8,7 @@
dump command :h3 dump command :h3
"dump image"_dump_image.html command :h3 "dump image"_dump_image.html command :h3
"dump movie"_dump_image.html command :h3
"dump molfile"_dump_molfile.html command :h3 "dump molfile"_dump_molfile.html command :h3
[Syntax:] [Syntax:]

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@ -21,9 +21,10 @@
<LI>these keywords apply to various dump styles <LI>these keywords apply to various dump styles
<LI>keyword = <I>append</I> or <I>element</I> or <I>every</I> or <I>fileper</I> or <I>first</I> or <I>flush</I> or <I>format</I> or <I>image</I> or <I>label</I> or <I>nfile</I> or <I>pad</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> <LI>keyword = <I>append</I> or <I>buffer</I> or <I>element</I> or <I>every</I> or <I>fileper</I> or <I>first</I> or <I>flush</I> or <I>format</I> or <I>image</I> or <I>label</I> or <I>nfile</I> or <I>pad</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>append</I> arg = <I>yes</I> or <I>no</I> <PRE> <I>append</I> arg = <I>yes</I> or <I>no</I>
<I>buffer</I> arg = <I>yes</I> or <I>no</I>
<I>element</I> args = E1 E2 ... EN, where N = # of atom types <I>element</I> args = E1 E2 ... EN, where N = # of atom types
E1,...,EN = element name, e.g. C or Fe or Ga E1,...,EN = element name, e.g. C or Fe or Ga
<I>every</I> arg = N <I>every</I> arg = N
@ -144,6 +145,23 @@ this keyword has no further effect.
</P> </P>
<HR> <HR>
<P>The <I>buffer</I> keyword applies only to dump styles <I>atom</I>, <I>custom</I>,
<I>local</I>, and <I>xyz</I>. It also applies only to text output files, not to
binary or gzipped files. If specified as <I>yes</I>, which is the default,
then each processor writes its output into an internal text buffer,
which is then sent to the processor(s) which perform file writes, and
written by those processors(s) as one large chunk of text. If
specified as <I>no</I>, each processor sends its per-atom data in binary
format to the processor(s) which perform file wirtes, and those
processor(s) format and write it line by line into the output file.
</P>
<P>The buffering mode is typically faster since each processor does the
relatively expensive task of formatting the output for its own atoms.
However it requires about twice the memory (per processor) for the
extra buffering.
</P>
<HR>
<P>The <I>element</I> keyword applies only to the the dump <I>cfg</I>, <I>xyz</I>, and <P>The <I>element</I> keyword applies only to the the dump <I>cfg</I>, <I>xyz</I>, and
<I>image</I> styles. It associates element names (e.g. H, C, Fe) with <I>image</I> styles. It associates element names (e.g. H, C, Fe) with
LAMMPS atom types. See the list of element names at the bottom of LAMMPS atom types. See the list of element names at the bottom of
@ -646,6 +664,7 @@ images less frequently.
<P>The option defaults are <P>The option defaults are
</P> </P>
<UL><LI>append = no <UL><LI>append = no
<LI>buffer = yes for dump styles <I>atom</I>, <I>custom</I>, <I>loca</I>, and <I>xyz</I>
<LI>element = "C" for every atom type <LI>element = "C" for every atom type
<LI>every = whatever it was set to via the <A HREF = "dump.html">dump</A> command <LI>every = whatever it was set to via the <A HREF = "dump.html">dump</A> command
<LI>fileper = # of processors <LI>fileper = # of processors

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@ -15,8 +15,9 @@ dump_modify dump-ID keyword values ... :pre
dump-ID = ID of dump to modify :ulb,l dump-ID = ID of dump to modify :ulb,l
one or more keyword/value pairs may be appended :l one or more keyword/value pairs may be appended :l
these keywords apply to various dump styles :l these keywords apply to various dump styles :l
keyword = {append} or {element} or {every} or {fileper} or {first} or {flush} or {format} or {image} or {label} or {nfile} or {pad} or {precision} or {region} or {scale} or {sort} or {thresh} or {unwrap} :l keyword = {append} or {buffer} or {element} or {every} or {fileper} or {first} or {flush} or {format} or {image} or {label} or {nfile} or {pad} or {precision} or {region} or {scale} or {sort} or {thresh} or {unwrap} :l
{append} arg = {yes} or {no} {append} arg = {yes} or {no}
{buffer} arg = {yes} or {no}
{element} args = E1 E2 ... EN, where N = # of atom types {element} args = E1 E2 ... EN, where N = # of atom types
E1,...,EN = element name, e.g. C or Fe or Ga E1,...,EN = element name, e.g. C or Fe or Ga
{every} arg = N {every} arg = N
@ -132,6 +133,23 @@ this keyword has no further effect.
:line :line
The {buffer} keyword applies only to dump styles {atom}, {custom},
{local}, and {xyz}. It also applies only to text output files, not to
binary or gzipped files. If specified as {yes}, which is the default,
then each processor writes its output into an internal text buffer,
which is then sent to the processor(s) which perform file writes, and
written by those processors(s) as one large chunk of text. If
specified as {no}, each processor sends its per-atom data in binary
format to the processor(s) which perform file wirtes, and those
processor(s) format and write it line by line into the output file.
The buffering mode is typically faster since each processor does the
relatively expensive task of formatting the output for its own atoms.
However it requires about twice the memory (per processor) for the
extra buffering.
:line
The {element} keyword applies only to the the dump {cfg}, {xyz}, and The {element} keyword applies only to the the dump {cfg}, {xyz}, and
{image} styles. It associates element names (e.g. H, C, Fe) with {image} styles. It associates element names (e.g. H, C, Fe) with
LAMMPS atom types. See the list of element names at the bottom of LAMMPS atom types. See the list of element names at the bottom of
@ -632,6 +650,7 @@ images less frequently.
The option defaults are The option defaults are
append = no append = no
buffer = yes for dump styles {atom}, {custom}, {loca}, and {xyz}
element = "C" for every atom type element = "C" for every atom type
every = whatever it was set to via the "dump"_dump.html command every = whatever it was set to via the "dump"_dump.html command
fileper = # of processors fileper = # of processors