</P>

<HR>

<LI>Here are some guidelines for using the pair_style table command to

<P>Here are some guidelines for using the pair_style table command to

best effect:

</UL>

<LI>Vary the number of table points; you may need to use more than you think

</P>

<UL><LI>Vary the number of table points; you may need to use more than you think

to get good resolution. 

<LI>Always use the <A HREF = "pair_write.html">pair_write</A> command to produce a plot

of what the final interpolated potential looks like.  This can show up

interpolations "features" you may not like. 

interpolation "features" you may not like. 

<LI>Start with the linear style; it's the style least likely to have problems. 

<LI>Use as large an inner cutoff as possible.  This avoids fitting splines

to very steep parts of the potential. 

<LI>Make sure the potential tabulation you are feeding to LAMMPS is not

<LI>Make sure the tabulated potential you are feeding to LAMMPS is not

pathological. 

</UL>

<HR>

<P>The format of a tabulated file is as follows (without the

:line

Here are some guidelines for using the pair_style table command to

best effect: :ule,l

best effect:

Vary the number of table points; you may need to use more than you think

to get good resolution. :l

to get good resolution. :ulb,l

Always use the "pair_write"_pair_write.html command to produce a plot

of what the final interpolated potential looks like.  This can show up

interpolations "features" you may not like. :l

interpolation "features" you may not like. :l

Start with the linear style; it's the style least likely to have problems. :l

Use as large an inner cutoff as possible.  This avoids fitting splines

to very steep parts of the potential. :l

Make sure the potential tabulation you are feeding to LAMMPS is not

pathological. :l

Make sure the tabulated potential you are feeding to LAMMPS is not

pathological. :l,ule

:line