jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11112 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-12-11 15:31:38 +00:00
parent 199a87ae99
commit 12f312947e
2 changed files with 8 additions and 8 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

8
doc/angle_class2.html
View File

@ -37,8 +37,8 @@ the equilibrium bond lengths.
<P>See <A HREF = "#Sun">(Sun)</A> for a description of the COMPASS class2 force field.
</P>
<P>Coefficients for the Ea, Ebb, and Eba formulas must be defined for
each angle type via the <A HREF = "bond_coeff.html">bond_coeff</A> command as in the
example above, or in the data file or restart files read by the
each angle type via the <A HREF = "angle_coeff.html">angle_coeff</A> command as in
the example above, or in the data file or restart files read by the
<A HREF = "read_data.html">read_data</A> or <A HREF = "read_restart.html">read_restart</A>
commands.
</P>
@ -52,7 +52,7 @@ commands.
<P>Theta0 is specified in degrees, but LAMMPS converts it to radians
internally; hence the units of the various K are in per-radian.
</P>
<P>For the Ebb formula, each line in a <A HREF = "bond_coeff.html">bond_coeff</A>
<P>For the Ebb formula, each line in a <A HREF = "angle_coeff.html">angle_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 should be listed under a "BondBond Coeffs" heading
@ -64,7 +64,7 @@ the angle type.
<LI>r1 (distance)
<LI>r2 (distance)
</UL>
<P>For the Eba formula, each line in a <A HREF = "bond_coeff.html">bond_coeff</A>
<P>For the Eba formula, each line in a <A HREF = "angle_coeff.html">angle_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 should be listed under a "BondAngle Coeffs" heading

8
doc/angle_class2.txt
View File

@ -33,8 +33,8 @@ the equilibrium bond lengths.
See "(Sun)"_#Sun for a description of the COMPASS class2 force field.
Coefficients for the Ea, Ebb, and Eba formulas must be defined for
each angle type via the "bond_coeff"_bond_coeff.html command as in the
example above, or in the data file or restart files read by the
each angle type via the "angle_coeff"_angle_coeff.html command as in
the example above, or in the data file or restart files read by the
"read_data"_read_data.html or "read_restart"_read_restart.html
commands.
@ -48,7 +48,7 @@ K4 (energy/radian^4) :ul
Theta0 is specified in degrees, but LAMMPS converts it to radians
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
For the Ebb formula, each line in a "angle_coeff"_angle_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 should be listed under a "BondBond Coeffs" heading
@ -60,7 +60,7 @@ M (energy/distance^2)
r1 (distance)
r2 (distance) :ul
For the Eba formula, each line in a "bond_coeff"_bond_coeff.html
For the Eba formula, each line in a "angle_coeff"_angle_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 should be listed under a "BondAngle Coeffs" heading