College of Arts and Sciences
College of Engineering
Department of Mathematics
Department of Computer Science
Eric Jankowski, Ph.D.
GIXStapose helps materials simulators reproducibly generate figures involving diffraction patterns and atomic coordinates. Used interactively, GIXStapose allows real-space coordinates of atoms to be rotated, juxtaposing grazing incidence X-ray scattering (GIXS) patterns from the atoms™ orientation. GIXStapose provides tools for writing and reading the rotation matrices used to generate a specific orientation of a system, allowing researchers to recall and interact with a specific figure (e.g., Might we see additional reflections if that figure were rotated 90 degrees about the y-axis?). Used as a python library, these features facilitate reproducible figure creation and analysis.
This material is based upon work supported by the National Science Foundation under Grant No. 1835593.
Fothergill, Jenny, "GIXStapose: Interactive and Reproducible Scattering Analysis of Simulation Snapshots" (2021). Research Computing Days 2021. 2.