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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13615 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-07-16 21:53:47 +00:00
parent b96e60f567
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10
doc/write_data.html
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@ -19,9 +19,10 @@
<LI>zero or more keyword/value pairs may be appended
<LI>keyword = <I>pair</I>
<LI>keyword = <I>pair</I> or <I>nocoeff</I>
<PRE> <I>pair</I> value = <I>ii</I> or <I>ij</I>
<PRE> <I>nocoeff</I> = do not write out force field info
<I>pair</I> value = <I>ii</I> or <I>ij</I>
<I>ii</I> = write one line of pair coefficient info per atom type
<I>ij</I> = write one line of pair coefficient info per IJ atom type pair
</PRE>
@ -84,6 +85,11 @@ data file is read.
</P>
<HR>
<P>The <I>nocoeff</I> keyword requests that no force field parameters should
be written to the data file. This can be very helpful, if one wants
to make significant changes to the force field or if the parameters
are read in separately anyway, e.g. from an include file.
</P>
<P>The <I>pair</I> keyword lets you specify in what format the pair
coefficient information is written into the data file. If the value
is specified as <I>ii</I>, then one line per atom type is written, to