git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2242 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2008-11-17 14:56:58 +00:00
parent 293b4cfb57
commit e9822eb5a6
4 changed files with 22 additions and 22 deletions

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@ -37,11 +37,11 @@ Analysis metric is made in the paper.
<P>The result is a number which is mapped to the following different
lattice structures:
</P>
<UL><LI>1 = UNKNOWN
<LI>2 = BCC
<LI>3 = FCC
<LI>4 = HCP
<LI>5 = ICO
<UL><LI>0 = UNKNOWN
<LI>1 = BCC
<LI>2 = FCC
<LI>3 = HCP
<LI>4 = ICO
</UL>
<P>The neighbor list needed to compute this quantity is constructed each
time the calculation is performed (i.e. each time a snapshot of atoms

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@ -34,11 +34,11 @@ Analysis metric is made in the paper.
The result is a number which is mapped to the following different
lattice structures:
1 = UNKNOWN
2 = BCC
3 = FCC
4 = HCP
5 = ICO :ul
0 = UNKNOWN
1 = BCC
2 = FCC
3 = HCP
4 = ICO :ul
The neighbor list needed to compute this quantity is constructed each
time the calculation is performed (i.e. each time a snapshot of atoms

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@ -65,11 +65,11 @@ of the run time).
<P>The cutoff distance and the tabulated values of the functionals F,
rho, and phi are listed in one or more files which are specified by
the <A HREF = "pair_coeff.html">pair_coeff</A> command. These are ASCII text files
in a DYNAMO-style format which is described below. DYNAMO is a serial
MD code. Several DYNAMO potential files for different metals are
included in the "potentials" directory of the LAMMPS distribution.
All of these files are parameterized in terms of LAMMPS <A HREF = "units.html">metal
units</A>.
in a DYNAMO-style format which is described below. DYNAMO was the
original serial EAM MD code, written by the EAM originators. Several
DYNAMO potential files for different metals are included in the
"potentials" directory of the LAMMPS distribution. All of these files
are parameterized in terms of LAMMPS <A HREF = "units.html">metal units</A>.
</P>
<P>IMPORTANT NOTE: The <I>eam</I> style reads single-element EAM potentials in
the DYNAMO <I>funcfl</I> format. Either single element or alloy systems
@ -82,7 +82,7 @@ as described below. These files require no mixing since they specify
alloy interactions explicitly.
</P>
<P>There are several WWW sites that distribute and document EAM
potentials stored in either the original DYNAMO or other formats:
potentials stored in DYNAMO or other formats:
</P>
<PRE>http://www.ctcms.nist.gov/potentials
http://cst-www.nrl.navy.mil/ccm6/ap

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@ -57,11 +57,11 @@ of the run time).
The cutoff distance and the tabulated values of the functionals F,
rho, and phi are listed in one or more files which are specified by
the "pair_coeff"_pair_coeff.html command. These are ASCII text files
in a DYNAMO-style format which is described below. DYNAMO is a serial
MD code. Several DYNAMO potential files for different metals are
included in the "potentials" directory of the LAMMPS distribution.
All of these files are parameterized in terms of LAMMPS "metal
units"_units.html.
in a DYNAMO-style format which is described below. DYNAMO was the
original serial EAM MD code, written by the EAM originators. Several
DYNAMO potential files for different metals are included in the
"potentials" directory of the LAMMPS distribution. All of these files
are parameterized in terms of LAMMPS "metal units"_units.html.
IMPORTANT NOTE: The {eam} style reads single-element EAM potentials in
the DYNAMO {funcfl} format. Either single element or alloy systems
@ -74,7 +74,7 @@ as described below. These files require no mixing since they specify
alloy interactions explicitly.
There are several WWW sites that distribute and document EAM
potentials stored in either the original DYNAMO or other formats:
potentials stored in DYNAMO or other formats:
http://www.ctcms.nist.gov/potentials
http://cst-www.nrl.navy.mil/ccm6/ap