Other projects using ASE
========================

This is a list of software packages that use ASE.  These could well be
of interest to ASE users in general.  If you know of a project which
should be listed here, but isn't, please open a merge request adding
link and descriptive paragraph.

 * `COGEF <https://cogef.gitlab.io/cogef/>`_:
   COnstrained Geometries simulate External Force.  This
   package is useful for analysing properties of bond-breaking
   reactions, such as how much force is required to break a chemical
   bond.

 * `icet <https://icet.materialsmodeling.org/>`_:
   The integration cluster expansion toolkit. icet is a flexible and
   extensible software package for constructing and sampling alloy
   cluster expansions. It supports a wide range of regression and
   validation techniques, and includes a Monte Carlo module with
   support for many different thermodynamic ensembles.

 * `hiphive <https://hiphive.materialsmodeling.org>`_:
   hiPhive is a tool for efficiently extracting high-order force
   constants. It is interfaced with ASE to enable easy integration
   with first-principles codes. hiphive also provides an ASE-style
   calculator to enable sampling of force constant expansions via
   molecular dynamics simulations.

 * `atomicrex <https://atomicrex.org/>`_:
   atomicrex is a versatile tool for the construction of interatomic
   potential models. It includes a Python interface for integration
   with first-principles codes via ASE as well as other Python
   libraries.

 * `Sella <https://github.com/zadorlab/sella>`_:
   Sella is a saddle point refinement (optimization) tool which uses
   the `Optimize <ase/optimize.html>`_ API. Sella supports minimization and
   refinement of arbitrary-order saddle points with constraints.
   Additionally, Sella can perform intrinsic reaction coordinate (IRC)
   calculations.
