(687a) VACUUMMS: stewardship of research software from the void | AIChE

(687a) VACUUMMS: stewardship of research software from the void

Authors 

Willmore, F. - Presenter, Boise State University
Software and software components developed in the course of graduate work are an important research product and their stewardship is a critical part of the research enterprise, both for the reproducibility of published work and for their application to new work. A narrative is presented for a set of analytics which was developed for the characterization of free space in glass-forming materials, and was lost to the research community for some time. These codes were ultimately re-packaged using CMake and spack, and released as VACUUMMS (Void Analysis Codes and Unix-like Utilities for Molecular Modeling and Simulation) and are now finding new life.