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@ -18,7 +18,8 @@
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<P><B>Examples:</B>
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</P>
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<PRE>angle_style class2
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angle_coeff * 75.0
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angle_coeff * 75.0
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angle_coeff 1 bb 10.5872 1.0119 1.5228
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</PRE>
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<P><B>Description:</B>
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</P>
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@ -51,9 +52,9 @@ internally; hence the units of the various K are in per-radian.
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<P>For the Ebb formula, each line in a <A HREF = "bond_coeff.html">bond_coeff</A>
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command in the input script lists 4 coefficients, the first of which
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is "bb" to indicate they are BondBond coefficients. In a data file,
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these coefficients can be listed under a "BondBond Coeffs" heading and
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you must leave out the "bb", i.e. only list 3 coefficients after the
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angle type.
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these coefficients should be listed under a "BondBond Coeffs" heading
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and you must leave out the "bb", i.e. only list 3 coefficients after
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the angle type.
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</P>
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<UL><LI>bb
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<LI>M (energy/distance^2)
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@ -63,7 +64,7 @@ angle type.
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<P>For the Eba formula, each line in a <A HREF = "bond_coeff.html">bond_coeff</A>
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command in the input script lists 5 coefficients, the first of which
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is "ba" to indicate they are BondAngle coefficients. In a data file,
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these coefficients can be listed under a "BondAngle Coeffs" heading
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these coefficients should be listed under a "BondAngle Coeffs" heading
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and you must leave out the "ba", i.e. only list 4 coefficients after
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the angle type.
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</P>
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@ -15,7 +15,8 @@ angle_style class2 :pre
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[Examples:]
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angle_style class2
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angle_coeff * 75.0 :pre
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angle_coeff * 75.0
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angle_coeff 1 bb 10.5872 1.0119 1.5228 :pre
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[Description:]
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@ -48,9 +49,9 @@ internally; hence the units of the various K are in per-radian.
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For the Ebb formula, each line in a "bond_coeff"_bond_coeff.html
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command in the input script lists 4 coefficients, the first of which
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is "bb" to indicate they are BondBond coefficients. In a data file,
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these coefficients can be listed under a "BondBond Coeffs" heading and
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you must leave out the "bb", i.e. only list 3 coefficients after the
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angle type.
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these coefficients should be listed under a "BondBond Coeffs" heading
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and you must leave out the "bb", i.e. only list 3 coefficients after
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the angle type.
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bb
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M (energy/distance^2)
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@ -60,7 +61,7 @@ r2 (distance) :ul
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For the Eba formula, each line in a "bond_coeff"_bond_coeff.html
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command in the input script lists 5 coefficients, the first of which
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is "ba" to indicate they are BondAngle coefficients. In a data file,
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these coefficients can be listed under a "BondAngle Coeffs" heading
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these coefficients should be listed under a "BondAngle Coeffs" heading
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and you must leave out the "ba", i.e. only list 4 coefficients after
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the angle type.
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@ -56,6 +56,11 @@ corresponds to the 1st example above would be listed as
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</P>
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<PRE>1 300.0 107.0
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</PRE>
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<P>The <A HREF = "angle_class2.html">angle_style class2</A> is an exception to this
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rule, in that an additional argument is used in the input script to
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allow specification of the cross-term coefficients. See its
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doc page for details.
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</P>
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<HR>
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<P>Here is an alphabetic list of angle styles defined in LAMMPS. Click on
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@ -53,6 +53,11 @@ corresponds to the 1st example above would be listed as
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1 300.0 107.0 :pre
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The "angle_style class2"_angle_class2.html is an exception to this
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rule, in that an additional argument is used in the input script to
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allow specification of the cross-term coefficients. See its
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doc page for details.
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:line
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Here is an alphabetic list of angle styles defined in LAMMPS. Click on
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@ -58,6 +58,11 @@ corresponds to the 1st example above would be listed as
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</P>
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<PRE>1 80.0 1 3
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</PRE>
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<P>The <A HREF = "dihedral_class2.html">dihedral_style class2</A> is an exception to
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this rule, in that an additional argument is used in the input script
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to allow specification of the cross-term coefficients. See its doc
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page for details.
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</P>
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<HR>
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<P>Here is an alphabetic list of dihedral styles defined in LAMMPS. Click on
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@ -55,6 +55,11 @@ corresponds to the 1st example above would be listed as
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1 80.0 1 3 :pre
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The "dihedral_style class2"_dihedral_class2.html is an exception to
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this rule, in that an additional argument is used in the input script
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to allow specification of the cross-term coefficients. See its doc
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page for details.
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:line
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Here is an alphabetic list of dihedral styles defined in LAMMPS. Click on
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@ -58,6 +58,11 @@ corresponds to the 1st example above would be listed as
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</P>
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<PRE>1 300.0 0.0
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</PRE>
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<P>The <A HREF = "improper_class2.html">improper_style class2</A> is an exception to
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this rule, in that an additional argument is used in the input script
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to allow specification of the cross-term coefficients. See its doc
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page for details.
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</P>
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<HR>
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<P>Here is an alphabetic list of improper styles defined in LAMMPS. Click on
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@ -55,6 +55,11 @@ corresponds to the 1st example above would be listed as
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1 300.0 0.0 :pre
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The "improper_style class2"_improper_class2.html is an exception to
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this rule, in that an additional argument is used in the input script
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to allow specification of the cross-term coefficients. See its doc
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page for details.
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:line
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Here is an alphabetic list of improper styles defined in LAMMPS. Click on
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