From af0e216d6a0cbf52ac29b3890f51dbf64d43c1e5 Mon Sep 17 00:00:00 2001 From: pscrozi Date: Wed, 14 Apr 2010 21:45:05 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4003 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/pair_table.html | 6 +++--- doc/pair_table.txt | 6 +++--- 2 files changed, 6 insertions(+), 6 deletions(-) diff --git a/doc/pair_table.html b/doc/pair_table.html index 9702042dea..0d96816e54 100644 --- a/doc/pair_table.html +++ b/doc/pair_table.html @@ -87,8 +87,8 @@ interpolation "features" you may not like.
  • Start with the linear style; it's the style least likely to have problems.
  • Use N in the pair_style command equal to the "N" in the tabulation -file, so additional interpolation is not needed. See discussion -below. +file, and use the "RSQ" or "BITMAP" parameter, so additional interpolation +is not needed. See discussion below.
  • Use as large an inner cutoff as possible. This avoids fitting splines 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 interpolation tables of length Ntable to match exactly what is in the 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 not appear, then the distances in each line of the table are used diff --git a/doc/pair_table.txt b/doc/pair_table.txt index 1a46645955..a83961106a 100644 --- a/doc/pair_table.txt +++ b/doc/pair_table.txt @@ -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 Use {N} in the pair_style command equal to the "N" in the tabulation -file, so additional interpolation is not needed. See discussion -below. :l +file, and use the "RSQ" or "BITMAP" parameter, so additional interpolation +is not needed. See discussion below. :l Use as large an inner cutoff as possible. This avoids fitting splines 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 interpolation tables of length Ntable to match exactly what is in the 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 not appear, then the distances in each line of the table are used