git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5249 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-11-17 18:25:09 +00:00
parent 5c92d3a7ac
commit 63b85bd717
8 changed files with 42 additions and 10 deletions

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@ -18,7 +18,8 @@
<P><B>Examples:</B>
</P>
<PRE>angle_style class2
angle_coeff * 75.0
angle_coeff * 75.0
angle_coeff 1 bb 10.5872 1.0119 1.5228
</PRE>
<P><B>Description:</B>
</P>
@ -51,9 +52,9 @@ internally; hence the units of the various K are in per-radian.
<P>For the Ebb formula, each line in a <A HREF = "bond_coeff.html">bond_coeff</A>
command in the input script lists 4 coefficients, the first of which
is "bb" to indicate they are BondBond coefficients. In a data file,
these coefficients can be listed under a "BondBond Coeffs" heading and
you must leave out the "bb", i.e. only list 3 coefficients after the
angle type.
these coefficients should be listed under a "BondBond Coeffs" heading
and you must leave out the "bb", i.e. only list 3 coefficients after
the angle type.
</P>
<UL><LI>bb
<LI>M (energy/distance^2)
@ -63,7 +64,7 @@ angle type.
<P>For the Eba formula, each line in a <A HREF = "bond_coeff.html">bond_coeff</A>
command in the input script lists 5 coefficients, the first of which
is "ba" to indicate they are BondAngle coefficients. In a data file,
these coefficients can be listed under a "BondAngle Coeffs" heading
these coefficients should be listed under a "BondAngle Coeffs" heading
and you must leave out the "ba", i.e. only list 4 coefficients after
the angle type.
</P>

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@ -15,7 +15,8 @@ angle_style class2 :pre
[Examples:]
angle_style class2
angle_coeff * 75.0 :pre
angle_coeff * 75.0
angle_coeff 1 bb 10.5872 1.0119 1.5228 :pre
[Description:]
@ -48,9 +49,9 @@ internally; hence the units of the various K are in per-radian.
For the Ebb formula, each line in a "bond_coeff"_bond_coeff.html
command in the input script lists 4 coefficients, the first of which
is "bb" to indicate they are BondBond coefficients. In a data file,
these coefficients can be listed under a "BondBond Coeffs" heading and
you must leave out the "bb", i.e. only list 3 coefficients after the
angle type.
these coefficients should be listed under a "BondBond Coeffs" heading
and you must leave out the "bb", i.e. only list 3 coefficients after
the angle type.
bb
M (energy/distance^2)
@ -60,7 +61,7 @@ r2 (distance) :ul
For the Eba formula, each line in a "bond_coeff"_bond_coeff.html
command in the input script lists 5 coefficients, the first of which
is "ba" to indicate they are BondAngle coefficients. In a data file,
these coefficients can be listed under a "BondAngle Coeffs" heading
these coefficients should be listed under a "BondAngle Coeffs" heading
and you must leave out the "ba", i.e. only list 4 coefficients after
the angle type.

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@ -56,6 +56,11 @@ corresponds to the 1st example above would be listed as
</P>
<PRE>1 300.0 107.0
</PRE>
<P>The <A HREF = "angle_class2.html">angle_style class2</A> is an exception to this
rule, in that an additional argument is used in the input script to
allow specification of the cross-term coefficients. See its
doc page for details.
</P>
<HR>
<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
1 300.0 107.0 :pre
The "angle_style class2"_angle_class2.html is an exception to this
rule, in that an additional argument is used in the input script to
allow specification of the cross-term coefficients. See its
doc page for details.
:line
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
</P>
<PRE>1 80.0 1 3
</PRE>
<P>The <A HREF = "dihedral_class2.html">dihedral_style class2</A> is an exception to
this rule, in that an additional argument is used in the input script
to allow specification of the cross-term coefficients. See its doc
page for details.
</P>
<HR>
<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
1 80.0 1 3 :pre
The "dihedral_style class2"_dihedral_class2.html is an exception to
this rule, in that an additional argument is used in the input script
to allow specification of the cross-term coefficients. See its doc
page for details.
:line
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
</P>
<PRE>1 300.0 0.0
</PRE>
<P>The <A HREF = "improper_class2.html">improper_style class2</A> is an exception to
this rule, in that an additional argument is used in the input script
to allow specification of the cross-term coefficients. See its doc
page for details.
</P>
<HR>
<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
1 300.0 0.0 :pre
The "improper_style class2"_improper_class2.html is an exception to
this rule, in that an additional argument is used in the input script
to allow specification of the cross-term coefficients. See its doc
page for details.
:line
Here is an alphabetic list of improper styles defined in LAMMPS. Click on