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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11140 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-01-06 20:40:19 +00:00
parent 361001207c
commit 2122ba1e08
2 changed files with 10 additions and 12 deletions
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11
doc/molecule.html
View File

@ -15,7 +15,7 @@
</P>
<PRE>molecule ID file
</PRE>
<UL><LI>ID = user-assigned name of the molecule template
<UL><LI>ID = user-assigned name for the molecule template
<LI>file = name of file containing molecule description
</UL>
<P><B>Examples:</B>
@ -34,9 +34,8 @@ pour</A>, and <A HREF = "fix_gcmc.html">fix gcmc</A>.
<P>The ID of a molecule template can only contain alphanumeric characters
and underscores.
</P>
<P>The format of the molecule description file is similar to the data
file read by the <A HREF = "read_data.html">read_data</A> commands, and is as
follows.
<P>The format of the molecule file is similar to the data file read by
the <A HREF = "read_data.html">read_data</A> commands, and is as follows.
</P>
<P>A molecule file has a header and a body. The header appears first.
The first line of the header is always skipped; it typically contains
@ -92,8 +91,8 @@ section is described including the number of lines it must contain and
rules (if any) for whether it can appear in the data file. In each
case the ID is ignored; it is simply included for readability as a
number from 1 to Nlines for the section, indicating which atom (or
bond, etc) the entry applies to. The lines must be listed in order
from 1 to Nlines.
bond, etc) the entry applies to. The lines are assumed to be listed
in order from 1 to Nlines.
</P>
<HR>

11
doc/molecule.txt
View File

@ -12,7 +12,7 @@ molecule command :h3
molecule ID file :pre
ID = user-assigned name of the molecule template
ID = user-assigned name for the molecule template
file = name of file containing molecule description :ul
[Examples:]
@ -31,9 +31,8 @@ pour"_fix_pour.html, and "fix gcmc"_fix_gcmc.html.
The ID of a molecule template can only contain alphanumeric characters
and underscores.
The format of the molecule description file is similar to the data
file read by the "read_data"_read_data.html commands, and is as
follows.
The format of the molecule file is similar to the data file read by
the "read_data"_read_data.html commands, and is as follows.
A molecule file has a header and a body. The header appears first.
The first line of the header is always skipped; it typically contains
@ -89,8 +88,8 @@ section is described including the number of lines it must contain and
rules (if any) for whether it can appear in the data file. In each
case the ID is ignored; it is simply included for readability as a
number from 1 to Nlines for the section, indicating which atom (or
bond, etc) the entry applies to. The lines must be listed in order
from 1 to Nlines.
bond, etc) the entry applies to. The lines are assumed to be listed
in order from 1 to Nlines.
:line