generic two body potential

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1

Hi everybody,

    I wanted to ask if in lammps there is the possibility of making a
simulation with a generic two body potential that depends only on the distance
of two atoms (isotropic), giving in input for example a functional form or a
data file. I'm interested first of all in the calculation of the trajectory of
such a system and, if possible (but this is less important), of the heat
current.
If not possible, which is the freedom in lammps for choosing a generic
potential without modifying the .cpp files?

          Thanks a lot,

                                                        Aris

2

Hi everybody,

    I wanted to ask if in lammps there is the possibility of making a
simulation with a generic two body potential that depends only on the
distance
of two atoms (isotropic), giving in input for example a functional form or
a
data file. I'm interested first of all in the calculation of the
trajectory of
such a system and, if possible (but this is less important), of the heat
current.

If not possible, which is the freedom in lammps for choosing a generic
potential without modifying the .cpp files?

​​
​sounds to me like you are looking for pair_style table.​
​

​axel.​

3

if i understand correctly what you mean, you should check the table pair_style