[lammps-users] cosine angle style

LAMMPS LAMMPS Mailing List Mirror
1

Hello Everyone,

I have a question concerned definition of theta in ‘angle_style cosine command’.

Though there are only two possibilities of it, but it will influence the sign of cosine in potential.

If I am not mistaken, theta is the angle between the first and the second vector

And it is NOT

the angle between the continue of the first vector and the second one. Am I right?

Thank to everyone in advance for answering the question!

2

I don't understand your question, but theta is the angle made by the 3
atoms i-j-k
where j is at the vertex of the angle. The ordering i-j-k is how they
appear in the
data file in the Angles section (see the doc page for read_data).

Steve