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@4003 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
pscrozi 2010-04-14 21:45:05 +00:00
parent 5dcd185aee
commit af0e216d6a
2 changed files with 6 additions and 6 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
doc/pair_table.html
View File

@ -87,8 +87,8 @@ interpolation "features" you may not like.
<LI>Start with the linear style; it's the style least likely to have problems. <LI>Start with the linear style; it's the style least likely to have problems.
<LI>Use <I>N</I> in the pair_style command equal to the "N" in the tabulation <LI>Use <I>N</I> in the pair_style command equal to the "N" in the tabulation
file, so additional interpolation is not needed. See discussion file, and use the "RSQ" or "BITMAP" parameter, so additional interpolation
below. is not needed. See discussion below.
<LI>Use as large an inner cutoff as possible. This avoids fitting splines <LI>Use as large an inner cutoff as possible. This avoids fitting splines
to very steep parts of the potential. to very steep parts of the potential.
@ -129,7 +129,7 @@ Ntable are then used as described above, when computing energy and
force for individual pair distances. This means that if you want the force for individual pair distances. This means that if you want the
interpolation tables of length Ntable to match exactly what is in the interpolation tables of length Ntable to match exactly what is in the
tabulated file (with effectively no preliminary interpolation), you tabulated file (with effectively no preliminary interpolation), you
should set Ntable = Nfile. should set Ntable = Nfile, and use the "RSQ" or "BITMAP" parameter.
</P> </P>
<P>All other parameters are optional. If "R" or "RSQ" or "BITMAP" does <P>All other parameters are optional. If "R" or "RSQ" or "BITMAP" does
not appear, then the distances in each line of the table are used not appear, then the distances in each line of the table are used

6
doc/pair_table.txt
View File

@ -84,8 +84,8 @@ interpolation "features" you may not like. :l
Start with the linear style; it's the style least likely to have problems. :l Start with the linear style; it's the style least likely to have problems. :l
Use {N} in the pair_style command equal to the "N" in the tabulation Use {N} in the pair_style command equal to the "N" in the tabulation
file, so additional interpolation is not needed. See discussion file, and use the "RSQ" or "BITMAP" parameter, so additional interpolation
below. :l is not needed. See discussion below. :l
Use as large an inner cutoff as possible. This avoids fitting splines Use as large an inner cutoff as possible. This avoids fitting splines
to very steep parts of the potential. :l,ule to very steep parts of the potential. :l,ule
@ -126,7 +126,7 @@ Ntable are then used as described above, when computing energy and
force for individual pair distances. This means that if you want the force for individual pair distances. This means that if you want the
interpolation tables of length Ntable to match exactly what is in the interpolation tables of length Ntable to match exactly what is in the
tabulated file (with effectively no preliminary interpolation), you tabulated file (with effectively no preliminary interpolation), you
should set Ntable = Nfile. should set Ntable = Nfile, and use the "RSQ" or "BITMAP" parameter.
All other parameters are optional. If "R" or "RSQ" or "BITMAP" does All other parameters are optional. If "R" or "RSQ" or "BITMAP" does
not appear, then the distances in each line of the table are used not appear, then the distances in each line of the table are used