pair_style table


In the pair_style table command, in the input table i will specify
N (no of enteries), pair distance(r), energy and force. but force has
three components for 3 dimension how do i specify this in the pair_style
or pair_coefficient, because i need the force direction in conjugate
gradient minimization.


Pair table is designed to use with true pair-wise
forces between a pair of particles, where the force
is along the direction of the vector between the 2
particles. Thus what you put in the tabulated
file is the magnitude of the force (a scalar) as a function
of r, the separation of the 2 particles. There is
no need for 3 components of the force.