From 0886b399918c09025b2fdc48b8261037b9729eb6 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 16 Jun 2010 15:36:34 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4272 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/angle_table.html | 4 +++- doc/angle_table.txt | 4 +++- 2 files changed, 6 insertions(+), 2 deletions(-) diff --git a/doc/angle_table.html b/doc/angle_table.html index 513a78bca1..f5f9330e64 100644 --- a/doc/angle_table.html +++ b/doc/angle_table.html @@ -109,7 +109,9 @@ set to 180.0. On each line, the 1st value is the index from 1 to N, the 2nd value is the angle value (in degrees), the 3rd value is the energy (in energy units), and the 4th is the force (in force units). The angle values -must increase from one line to the next. +must increase from one line to the next. The angle values must also +begin with 0.0 and end with 180.0, i.e. span the full range of +possible angles.

Note that one file can contain many sections, each with a tabulated potential. LAMMPS reads the file section by section until it finds diff --git a/doc/angle_table.txt b/doc/angle_table.txt index 5acb9d8b93..8fc27c6ea8 100644 --- a/doc/angle_table.txt +++ b/doc/angle_table.txt @@ -106,7 +106,9 @@ Following a blank line, the next N lines list the tabulated values. On each line, the 1st value is the index from 1 to N, the 2nd value is the angle value (in degrees), the 3rd value is the energy (in energy units), and the 4th is the force (in force units). The angle values -must increase from one line to the next. +must increase from one line to the next. The angle values must also +begin with 0.0 and end with 180.0, i.e. span the full range of +possible angles. Note that one file can contain many sections, each with a tabulated potential. LAMMPS reads the file section by section until it finds