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@1706 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-04-02 23:07:12 +00:00
parent b84693f8ed
commit b07f0877ad
2 changed files with 12 additions and 12 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

14
doc/pair_table.html
View File

@ -76,24 +76,24 @@ table. The format of this file is described below.
</P>
<HR>
<LI>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>Here are some guidelines for using the pair_style table command to
best effect:
</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

10
doc/pair_table.txt
View File

@ -74,22 +74,22 @@ table. The format of this file is described below.
: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