Spotlight

Spotlight is a Python package for parallelized optimization of Rietveld analysis. Spotlight leverages an optimization package called Mystic for optmization and includes additional modules that can be useful for Rietveld analysis. This documentation contains a tutorial with several sections for: guidance in installation, how to use some basic functionality in Mystic, and how to apply Mystic to Rietveld analysis using MILK. The sections following the tutorial give source code documentation for Spotlight.

Tutorial

• Introduction
• Installation
• Run a single optimization
• Run a multi-dimensional optimization
• Use a surrogate model to find the minimum of an expensive cost function
• Find the starting lattice parameters using MILK

Code Documentation

• spotlight executables
• Python Module Index
• Index
• Search

The Spotlight version used to generate this documentation is shown below.

status = CLEAN: All modifications committed
tag = None
version = c62267
githash = c62267c9e50d206d1edadc0e653af1b8b9a7ffc5
branch = None
author = Christopher M. Biwer <cmbiwer@lanl.gov>
committer = GitHub <noreply@github.com>
date = 2021-03-09 16:17:42 +0000
builder = Unknown User <>
build_date = 2023-06-04 16:19:54 +0000
release = False
last_release = 0.10.2

Citation

If you use Spotlight, we ask that you please use the citation below.

@article{spotlight2022,
  title={Spotlight: Distributed-computing for Rietveld analyses using an ensemble of local optimizers},
  author={Biwer, Christopher M and Vogel, Sven C and McKerns, Michael M and Savage, Daniel},
  journal={in prep.},
  year={2022},
}

Acknowledgements

This work was initially funded at Los Alamos National Laboratory (LANL) by the LANL Laboratory Directed Research and Development project 20170029DR. LANL is operated by Triad National Security, LLC, for the National Nuclear Security Administration of the U.S. DOE under Contract No. 89233218CNA000001.