Zero¶

The Zero pair potential zeros out the energy and forces contribution between two atoms.

.. list-table:: Lennard-Jones Parameters :widths: 40 40 :header-rows: 1 :align: center

• • Denomination
  • Units
• • \(\\epsilon\)
  • energy
• • \(\\sigma\)
  • distance
• • \(r_c\)
  • distance

Below is a usage example for a system containing one single atomic specy

.. code-block:: yaml

# Basic force computation zero_compute_force: rcut: 7.0 ang

# General force calculation block called in the integration scheme compute_force: - zero_compute_force

In the case of a system with multiple species, the force operator can be defined as follows

.. code-block:: yaml

# Basic force computation compute_force_pair_multimat: potentials: - { type_a: Si , type_b: Si , potential: zero , rcut: 8.47 ang } - { type_a: Si , type_b: O , potential: zero , rcut: 5.00 ang }