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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3151 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2009-09-04 19:40:03 +00:00
parent 799775274d
commit ff6134ff26
2 changed files with 30 additions and 4 deletions
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19
doc/dump_modify.html
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@ -19,9 +19,10 @@
<LI>one or more keyword/value pairs may be appended <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>sort</I> or <I>thresh</I> or <I>unwrap</I> <LI>keyword = <I>append</I> or <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 <PRE> <I>append</I> arg = <I>yes</I> or <I>no</I>
<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
N = dump every this many timesteps N = dump every this many timesteps
@ -53,6 +54,17 @@ dump_modify xtcdump precision 10000
<P>Modify the parameters of a previously defined dump command. Not all <P>Modify the parameters of a previously defined dump command. Not all
parameters are relevant to all dump styles. parameters are relevant to all dump styles.
</P> </P>
<P>The <I>append</I> keyword applies to all dump styles except <I>cfg</I> and <I>xtc</I>
and <I>dcd</I>. It also applies only to text output files, not to binary
or gzipped files. If specified as <I>yes</I>, then dump snapshots are
appended to the end of an existing dump file. If specified as <I>no</I>,
then a new dump file will be created which will overwrite an existing
file with the same name. This keyword can only take effect if the
dump_modify command is used after the <A HREF = "dump.html">dump</A> command, but
before the first command that causes dump snapshots to be output,
e.g. a <A HREF = "run.html">run</A> or <A HREF = "minimize.html">minimize</A> command. Once the
dump file has been opened, this keyword has no further effect.
</P>
<P>The <I>element</I> keyword applies only to the the dump <I>cfg</I> style. It <P>The <I>element</I> keyword applies only to the the dump <I>cfg</I> style. It
associates element names (e.g. H, C, Fe) with LAMMPS atom types, so associates element names (e.g. H, C, Fe) with LAMMPS atom types, so
that the <A HREF = "http://mt.seas.upenn.edu/Archive/Graphics/A">AtomEye</A> that the <A HREF = "http://mt.seas.upenn.edu/Archive/Graphics/A">AtomEye</A>
@ -146,7 +158,8 @@ box size stored with the snapshot.
</P> </P>
<P>The option defaults are <P>The option defaults are
</P> </P>
<UL><LI>element = "C" for every atom type <UL><LI>append = no
<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>flush = yes (except for the dump <I>xtc</I> style) <LI>flush = yes (except for the dump <I>xtc</I> style)
<LI>format = %d and %g for each integer or floating point value <LI>format = %d and %g for each integer or floating point value

15
doc/dump_modify.txt
View File

@ -14,7 +14,8 @@ 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
keyword = {every} or {flush} or {format} or {image} or {precision} or {region} or {scale} or {sort} or {thresh} or {unwrap} :l keyword = {append} or {every} or {flush} or {format} or {image} or {precision} or {region} or {scale} or {sort} or {thresh} or {unwrap} :l
{append} 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
@ -46,6 +47,17 @@ dump_modify xtcdump precision 10000 :pre
Modify the parameters of a previously defined dump command. Not all Modify the parameters of a previously defined dump command. Not all
parameters are relevant to all dump styles. parameters are relevant to all dump styles.
The {append} keyword applies to all dump styles except {cfg} and {xtc}
and {dcd}. It also applies only to text output files, not to binary
or gzipped files. If specified as {yes}, then dump snapshots are
appended to the end of an existing dump file. If specified as {no},
then a new dump file will be created which will overwrite an existing
file with the same name. This keyword can only take effect if the
dump_modify command is used after the "dump"_dump.html command, but
before the first command that causes dump snapshots to be output,
e.g. a "run"_run.html or "minimize"_minimize.html command. Once the
dump file has been opened, this keyword has no further effect.
The {element} keyword applies only to the the dump {cfg} style. It The {element} keyword applies only to the the dump {cfg} style. It
associates element names (e.g. H, C, Fe) with LAMMPS atom types, so associates element names (e.g. H, C, Fe) with LAMMPS atom types, so
that the "AtomEye"_http://mt.seas.upenn.edu/Archive/Graphics/A that the "AtomEye"_http://mt.seas.upenn.edu/Archive/Graphics/A
@ -139,6 +151,7 @@ box size stored with the snapshot.
The option defaults are The option defaults are
append = no
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
flush = yes (except for the dump {xtc} style) flush = yes (except for the dump {xtc} style)