For the angle_style table, my tabulated file has distances instead of angles that I want to read via Lammps.
What I mean to say is the following:
I do not have the angle information but the distances and the angle interactions (e.g 1_2_3 angle is represented in terms of 1_3 distance in Angstrom units)
Is there is away I can input these values in Lammps for angular interactions?
Do I need to make some changes in the code?
For the angle_style table, my tabulated file has distances instead of angles that I want to read via Lammps.
What I mean to say is the following:
I do not have the angle information but the distances and the angle interactions (e.g 1_2_3 angle is represented in terms of 1_3 distance in Angstrom units)
Is there is away I can input these values in Lammps for angular interactions?
assuming that you have a mean field approximation.
take the bond length for bond 1_2 and 2_3 and then
it is a trivial planar geometry problem to reconstruct
the angle (“if you have a triangle withe the side lengths
for 1_2, 2_3, and 1_3 what is the 1_2_3 angle?”)
Do I need to make some changes in the code?
if you want a three-body potential that is not described
by an angle, i.e. you don’t want the trivial math listed
above, then, yes, you will have to write a new angle style.