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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3566 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-12-17 23:42:38 +00:00
parent d7a06944dc
commit 55bfda11e4
2 changed files with 30 additions and 2 deletions
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16
doc/dump_modify.html
View File

@ -19,7 +19,7 @@
<LI>one or more keyword/value pairs may be appended
<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>
<LI>keyword = <I>append</I> or <I>every</I> or <I>flush</I> or <I>format</I> or <I>image</I> or <I>label</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>
<I>element</I> args = E1 E2 ... EN, where N = # of atom types
@ -29,6 +29,8 @@
<I>format</I> arg = C-style format string for one line of output
<I>flush</I> arg = <I>yes</I> or <I>no</I>
<I>image</I> arg = <I>yes</I> or <I>no</I>
<I>label</I> arg = string
string = character string (e.g. BONDS) to use in header of dump local file
<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>
@ -103,6 +105,17 @@ current coordinate. Note that for dump style <I>custom</I> these various
values can be printed in the dump file by using the appropriate atom
attributes in the dump command itself.
</P>
<P>The <I>label</I> keyword applies only to the dump <I>local</I> style. When
it writes local informatoin, such as bond or angle topology
to a dump file, it will use the specified <I>label</I> to format
the header. By default this includes 2 lines:
</P>
<PRE>ITEM: NUMBER OF ENTRIES
ITEM: ENTRIES ...
</PRE>
<P>The word "ENTRIES" will be replaced with the string specified,
e.g. BONDS or ANGLES.
</P>
<P>The <I>precision</I> keyword only applies to the dump <I>xtc</I> style. A
specified value of N means that coordinates are stored to 1/N
nanometer accuracy, e.g. for N = 1000, the coordinates are written to
@ -164,6 +177,7 @@ box size stored with the snapshot.
<LI>flush = yes (except for the dump <I>xtc</I> style)
<LI>format = %d and %g for each integer or floating point value
<LI>image = no
<LI>label = ENTRIES
<LI>precision = 1000
<LI>region = none
<LI>scale = yes

16
doc/dump_modify.txt
View File

@ -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 = {append} or {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 {label} 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
E1,...,EN = element name, e.g. C or Fe or Ga
@ -23,6 +23,8 @@ keyword = {append} or {every} or {flush} or {format} or {image} or {precision} o
{format} arg = C-style format string for one line of output
{flush} arg = {yes} or {no}
{image} arg = {yes} or {no}
{label} arg = string
string = character string (e.g. BONDS) to use in header of dump local file
{precision} arg = power-of-10 value from 10 to 1000000
{region} arg = region-ID or "none"
{scale} arg = {yes} or {no}
@ -96,6 +98,17 @@ current coordinate. Note that for dump style {custom} these various
values can be printed in the dump file by using the appropriate atom
attributes in the dump command itself.
The {label} keyword applies only to the dump {local} style. When
it writes local informatoin, such as bond or angle topology
to a dump file, it will use the specified {label} to format
the header. By default this includes 2 lines:
ITEM: NUMBER OF ENTRIES
ITEM: ENTRIES ... :pre
The word "ENTRIES" will be replaced with the string specified,
e.g. BONDS or ANGLES.
The {precision} keyword only applies to the dump {xtc} style. A
specified value of N means that coordinates are stored to 1/N
nanometer accuracy, e.g. for N = 1000, the coordinates are written to
@ -157,6 +170,7 @@ every = whatever it was set to via the "dump"_dump.html command
flush = yes (except for the dump {xtc} style)
format = %d and %g for each integer or floating point value
image = no
label = ENTRIES
precision = 1000
region = none
scale = yes