jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2649 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-03-16 22:44:23 +00:00
parent 5a0f2e17b3
commit a4cb19205e
2 changed files with 28 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

15
doc/dump.html
View File

@ -109,7 +109,20 @@ individual values and the file itself.
format that is self-explanatory when viewing a dump file. Many of the
LAMMPS <A HREF = "Section_tools.html">post-processing tools</A>, including
<A HREF = "http://www.cs.sandia.gov/~sjplimp/pizza.html">Pizza.py</A>, work with
this format.
this format.
</P>
<P>For post-processing purposes the <I>atom</I> and <I>custom</I> text files are
self-describing in the following sense. The simulation box bounds are
included in each snapshot and if the box is triclinic
(non-orthogonal), then the tilt factors are also printed; see the
<A HREF = "region.html">region prism</A> command for a description of tilt factors.
For triclinic boxes the box bounds themselves (first 2 quantities on
each line) are a true "bounding box" around the simulation domain,
which means they include the effect of any tilt. The "ITEM: ATOMS"
line in each snapshot also lists the meaning of each column of the
per-atom lines that follow. For example, this would be "id type xs ys
zs" for the default <I>atom</I> style, and it will be the atom attributes
you specify in the dump command for the <I>custom</I> style.
</P>
<P>For style <I>atom</I>, atom coordinates are written to the file, along with
the atom ID and atom type. By default, atom coords are written in a

15
doc/dump.txt
View File

@ -99,7 +99,20 @@ The {atom}, {bond}, and {custom} styles create files in a simple text
format that is self-explanatory when viewing a dump file. Many of the
LAMMPS "post-processing tools"_Section_tools.html, including
"Pizza.py"_http://www.cs.sandia.gov/~sjplimp/pizza.html, work with
this format.
this format.
For post-processing purposes the {atom} and {custom} text files are
self-describing in the following sense. The simulation box bounds are
included in each snapshot and if the box is triclinic
(non-orthogonal), then the tilt factors are also printed; see the
"region prism"_region.html command for a description of tilt factors.
For triclinic boxes the box bounds themselves (first 2 quantities on
each line) are a true "bounding box" around the simulation domain,
which means they include the effect of any tilt. The "ITEM: ATOMS"
line in each snapshot also lists the meaning of each column of the
per-atom lines that follow. For example, this would be "id type xs ys
zs" for the default {atom} style, and it will be the atom attributes
you specify in the dump command for the {custom} style.
For style {atom}, atom coordinates are written to the file, along with
the atom ID and atom type. By default, atom coords are written in a