rhodent
=======
**rhodent** is a tool for analyzing hot-carrier distributions based on input from real-time time-dependent density functional theory simulations.
A detailed description of the functionality provided as well as tutorials can be found in the `user guide <https://rhodent.materialsmodeling.org/>`_.
**rhodent** can be installed via `pip`::
pip3 install rhodent
**rhodent** has been developed at the `Department of Physics <https://www.chalmers.se/en/departments/physics/>`_ at `Chalmers University of Technology <https://www.chalmers.se/>`_ (Gothenburg, Sweden) in the `Condensed Matter and Materials Theory division <http://www.materialsmodeling.org>`_.
Development
-----------
The test suite is run using `pytest`::
pytest tests/
The tests should also pass in parallel MPI execution, on any number of ranks::
mpirun -np 2 pytest -x tests/
mpirun -np 3 pytest -x tests/
mpirun -np 4 pytest -x tests/
mpirun -np 5 pytest -x tests/
mpirun -np 6 pytest -x tests/
Tests are configured such that they are skipped if the number of ranks is incompatible with the particular test.
Only a subset of data required for testing is included in the repository.
Large data files are included in a `zenodo record <https://doi.org/10.5281/zenodo.14832606>`_ that needs to be extracted into the `tests/data` directory.
The subset of tests that does not require the large data files (mostly unit-tests) can be run via::
pytest -m 'not bigdata' tests/
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