git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2242 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -37,11 +37,11 @@ Analysis metric is made in the paper.
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<P>The result is a number which is mapped to the following different
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lattice structures:
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</P>
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<UL><LI>1 = UNKNOWN
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<LI>2 = BCC
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<LI>3 = FCC
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<LI>4 = HCP
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<LI>5 = ICO
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<UL><LI>0 = UNKNOWN
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<LI>1 = BCC
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<LI>2 = FCC
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<LI>3 = HCP
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<LI>4 = ICO
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</UL>
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<P>The neighbor list needed to compute this quantity is constructed each
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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.
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The result is a number which is mapped to the following different
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lattice structures:
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1 = UNKNOWN
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2 = BCC
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3 = FCC
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4 = HCP
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5 = ICO :ul
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0 = UNKNOWN
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1 = BCC
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2 = FCC
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3 = HCP
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4 = ICO :ul
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The neighbor list needed to compute this quantity is constructed each
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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).
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<P>The cutoff distance and the tabulated values of the functionals F,
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rho, and phi are listed in one or more files which are specified by
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the <A HREF = "pair_coeff.html">pair_coeff</A> command. These are ASCII text files
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in a DYNAMO-style format which is described below. DYNAMO is a serial
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MD code. Several DYNAMO potential files for different metals are
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included in the "potentials" directory of the LAMMPS distribution.
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All of these files are parameterized in terms of LAMMPS <A HREF = "units.html">metal
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units</A>.
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in a DYNAMO-style format which is described below. DYNAMO was the
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original serial EAM MD code, written by the EAM originators. Several
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DYNAMO potential files for different metals are included in the
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"potentials" directory of the LAMMPS distribution. All of these files
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are parameterized in terms of LAMMPS <A HREF = "units.html">metal units</A>.
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</P>
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<P>IMPORTANT NOTE: The <I>eam</I> style reads single-element EAM potentials in
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the DYNAMO <I>funcfl</I> format. Either single element or alloy systems
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@ -82,7 +82,7 @@ as described below. These files require no mixing since they specify
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alloy interactions explicitly.
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</P>
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<P>There are several WWW sites that distribute and document EAM
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potentials stored in either the original DYNAMO or other formats:
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potentials stored in DYNAMO or other formats:
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</P>
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<PRE>http://www.ctcms.nist.gov/potentials
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http://cst-www.nrl.navy.mil/ccm6/ap
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@ -57,11 +57,11 @@ of the run time).
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The cutoff distance and the tabulated values of the functionals F,
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rho, and phi are listed in one or more files which are specified by
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the "pair_coeff"_pair_coeff.html command. These are ASCII text files
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in a DYNAMO-style format which is described below. DYNAMO is a serial
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MD code. Several DYNAMO potential files for different metals are
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included in the "potentials" directory of the LAMMPS distribution.
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All of these files are parameterized in terms of LAMMPS "metal
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units"_units.html.
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in a DYNAMO-style format which is described below. DYNAMO was the
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original serial EAM MD code, written by the EAM originators. Several
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DYNAMO potential files for different metals are included in the
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"potentials" directory of the LAMMPS distribution. All of these files
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are parameterized in terms of LAMMPS "metal units"_units.html.
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IMPORTANT NOTE: The {eam} style reads single-element EAM potentials in
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the DYNAMO {funcfl} format. Either single element or alloy systems
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@ -74,7 +74,7 @@ as described below. These files require no mixing since they specify
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alloy interactions explicitly.
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There are several WWW sites that distribute and document EAM
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potentials stored in either the original DYNAMO or other formats:
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potentials stored in DYNAMO or other formats:
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http://www.ctcms.nist.gov/potentials
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http://cst-www.nrl.navy.mil/ccm6/ap
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