git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4272 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2010-06-16 15:36:34 +00:00
parent 09292fca44
commit 0886b39991
2 changed files with 6 additions and 2 deletions

View File

@ -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.
</P>
<P>Note that one file can contain many sections, each with a tabulated
potential. LAMMPS reads the file section by section until it finds

View File

@ -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