Dear all lammps users,
I have a sphere of triangulation mesh, each vertex represents a bead, the edge
represents a bond connecting two beads. Now I want to add bending potential into
this structure. From the literature, this can be done by adding adding a bending potential
between the two normal vectors of two neighboring triangles, i.e.
U_bend = k ( 1- cos \theta_ij ),
where \theta_ij is the angle between the two normal vectors of adjacent triangles i and j.
My problem is that how to do this in lammps? Is there any built-in potential to do this?
If not, what shall I do to add this feature into lammps?
Thanks in advance!!
Aiqun
Dear all lammps users,
I have a sphere of triangulation mesh, each vertex represents a bead, the
edge
represents a bond connecting two beads. Now I want to add bending potential
into
this structure. From the literature, this can be done by adding adding a
bending potential
between the two normal vectors of two neighboring triangles, i.e.
U_bend = k ( 1- cos \theta_ij ),
where \theta_ij is the angle between the two normal vectors of adjacent
triangles i and j.
My problem is that how to do this in lammps?
depends on what other potentials are involved.
Is there any built-in potential to do this?
in principle, each pair of triangles could be seen as a dihedral
interaction. only for dihedrals the angle is defined through the angle
between the two planes, not the normals.
If not, what shall I do to add this feature into lammps?
the manual explains how to modify LAMMPS with additional potentials
and features.
axel.