jitr 2.0.1

Calculable R-matrix solver for quantum scattering using just-in-time compilation for performance.

just-in-time R-Matrix (JITR)

A fast solver for parametric reaction models, production ready for calibration and uncertainty-quantification.

quick start

 pip install jitr

The release versions of the package are hosted at pypi.org/project/jitr/.

description

A framework for handling parametric reaction models.

Solves the radial Bloch-Shrödinger equation in the continuum using the calculable R-Matrix method on a Lagrange-Legendre mesh. Fairly fast due to using vectorized operations from numpy and just-in-time (JIT) compilation from numba.

The theory generally follows:

• Descouvemont, P. (2016). An R-matrix package for coupled-channel problems in nuclear physics. Computer physics communications, 200, 199-219,
• Baye, D. (2015). The Lagrange-mesh method. Physics reports, 565, 1-107,

with the primary difference being that this code uses the energy-scaled version of the Bloch-Shrödinger equation, with dimensionless domain, $s = k_0 r$, where $r$ is the radial coordinate and $k_0$ is the entrance channel wavenumber.

contributing, developing, and testing

To set up the repository for contributing, testing, access to non-release branches, access to the examples and notebooks, etc., clone the repository and install locally:

git clone [e-mail]:beykyle/jitr.git
pip install -r ./jitr/requirements.txt
pip install -e ./jitr

then run the tests from the main project directory:

pytest jitr

Feel free to fork and make a pull request if you have things to contribute. There are many open issues, feel free to add more.

examples and tutorials

Various example scripts live in examples/. Tutorials live in examples/notebooks/.

In particular, examples/notebooks/kduq_cross_section_uq_tutorial.ipynb demonstrates how to perform UQ for $(n,n)$ cross sections using KDUQ.

BAND

This package is part of the BAND Framework

citation

@software{Beyer_JITR_2024,
author = {Beyer, Kyle},
license = {BSD-3-Clause},
month = oct,
title = {{JITR}},
url = {https://github.com/beykyle/jitr},
version = {1.3.0},
year = {2024}
}