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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13503 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2015-07-02 00:43:29 +00:00
parent 90d0dd27d2
commit 7abe03a595
2 changed files with 12 additions and 4 deletions
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8
doc/pair_kim.html
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@ -13,11 +13,11 @@
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style kim virialmode model print-flag
<PRE>pair_style kim virialmode model printflag
</PRE>
<UL><LI>virialmode = KIMvirial or LAMMPSvirial
<LI>model = name of KIM model (potential)
<LI>print-flag = 0/1 do/do not print kim descriptor file; default: 0
<LI>printflag = 1/0 do or do not print KIM descriptor file, optional
</UL>
<P><B>Examples:</B>
</P>
@ -48,6 +48,10 @@ potential as KIM defines it. In principle, LAMMPS can invoke any KIM
model. You should get an error or warning message from either LAMMPS
or KIM if there is an incompatibility.
</P>
<P>The argument <I>printflag</I> is optional. If it is set to a non-zero
value then a KIM dsecriptor file is printed when KIM is invoked. This
can be useful for debugging. The default is to not print this file.
</P>
<P>Only a single pair_coeff command is used with the <I>kim</I> style which
specifies the mapping of LAMMPS atom types to KIM elements. This is
done by specifying N additional arguments after the * * in the

8
doc/pair_kim.txt
View File

@ -10,11 +10,11 @@ pair_style kim command :h3
[Syntax:]
pair_style kim virialmode model print-flag :pre
pair_style kim virialmode model printflag :pre
virialmode = KIMvirial or LAMMPSvirial
model = name of KIM model (potential)
print-flag = 0/1 do/do not print kim descriptor file; default: 0 :ul
printflag = 1/0 do or do not print KIM descriptor file, optional :ul
[Examples:]
@ -45,6 +45,10 @@ potential as KIM defines it. In principle, LAMMPS can invoke any KIM
model. You should get an error or warning message from either LAMMPS
or KIM if there is an incompatibility.
The argument {printflag} is optional. If it is set to a non-zero
value then a KIM dsecriptor file is printed when KIM is invoked. This
can be useful for debugging. The default is to not print this file.
Only a single pair_coeff command is used with the {kim} style which
specifies the mapping of LAMMPS atom types to KIM elements. This is
done by specifying N additional arguments after the * * in the