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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6448 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2011-06-20 15:25:04 +00:00
parent 677cb2e53f
commit eda731d3bd
3 changed files with 16 additions and 8 deletions
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4
doc/Section_howto.html
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@ -1169,7 +1169,7 @@ discussed below, it can be referenced via the following bracket
notation, where ID in this case is the ID of a compute. The leading
"c_" would be replaced by "f_" for a fix, or "v_" for a variable:
</P>
<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
<DIV ALIGN=center><TABLE BORDER=1 >
<TR><TD >c_ID </TD><TD > entire scalar, vector, or array</TD></TR>
<TR><TD >c_ID[I] </TD><TD > one element of vector, one column of array</TD></TR>
<TR><TD >c_ID[I][J] </TD><TD > one element of array
@ -1368,7 +1368,7 @@ data and scalar/vector/array data.
input, that could be an element of a vector or array. Likewise a
vector input could be a column of an array.
</P>
<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
<DIV ALIGN=center><TABLE BORDER=1 >
<TR><TD >Command</TD><TD > Input</TD><TD > Output</TD><TD ></TD></TR>
<TR><TD ><A HREF = "thermo_style.html">thermo_style custom</A></TD><TD > global scalars</TD><TD > screen, log file</TD><TD ></TD></TR>
<TR><TD ><A HREF = "dump.html">dump custom</A></TD><TD > per-atom vectors</TD><TD > dump file</TD><TD ></TD></TR>

17
doc/pair_adp.html
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@ -26,8 +26,8 @@ pair_coeff * * ../potentials/AlCu.adp Al Al Cu
<P>Style <I>adp</I> computes pairwise interactions for metals and metal alloys
using the angular dependent potential (ADP) of <A HREF = "#Mishin">(Mishin)</A>,
which is a generalization of the <A HREF = "pair_eam.html">embedded atom method (EAM)
potential</A>. The total energy Ei of an atom I is given
by
potential</A>. The LAMMPS implementation is discussed in
<A HREF = "#Singh">(Singh)</A>. The total energy Ei of an atom I is given by
</P>
<CENTER><IMG SRC = "Eqs/pair_adp.jpg">
</CENTER>
@ -66,7 +66,8 @@ where N is the number of LAMMPS atom types:
<UL><LI>filename
<LI>N element names = mapping of extended <I>setfl</I> elements to atom types
</UL>
<P>As an example, the potentials/AlCu.adp file is an extended <I>setfl</I>
<P>As an example, the potentials/AlCu.adp file, included in the
potentials directory of the LAMMPS distrbution, is an extended <I>setfl</I>
file which has tabulated ADP values for w elements and their alloy
interactions: Cu and Al. If your LAMMPS simulation has 4 atoms types
and you want the 1st 3 to be Al, and the 4th to be Cu, you would use
@ -150,7 +151,13 @@ if LAMMPS was built with that package (which it is by default).
</P>
<HR>
<P>:link(Mishin) <B>(Mishin)</B> Mishin, Mehl, and Papaconstantopoulos, Acta
Mater, 53, 4029 (2005).
<A NAME = "Mishin"></A>
<P><B>(Mishin)</B> Mishin, Mehl, and Papaconstantopoulos, Acta Mater, 53, 4029
(2005).
</P>
<A NAME = "Singh"></A>
<P><B>(Singh)</B> Singh and Warner, Acta Mater, 58, 5797-5805 (2010),
</P>
</HTML>

3
doc/pair_adp.txt
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@ -63,7 +63,8 @@ where N is the number of LAMMPS atom types:
filename
N element names = mapping of extended {setfl} elements to atom types :ul
As an example, the potentials/AlCu.adp file is an extended {setfl}
As an example, the potentials/AlCu.adp file, included in the
potentials directory of the LAMMPS distrbution, is an extended {setfl}
file which has tabulated ADP values for w elements and their alloy
interactions: Cu and Al. If your LAMMPS simulation has 4 atoms types
and you want the 1st 3 to be Al, and the 4th to be Cu, you would use