Robert Wexler

icon indicating a website link https://wexlergroup.github.io

icon company Washington University in St. Louis icon location St. Louis, MO icon location Assistant Professor of Chemistry and developer of (mostly) Python code for simulations of materials.

Results 1 comments of Robert Wexler

Add unit tests for defect workflows

It looks like it has been moved here: https://github.com/Quantum-Accelerators/quacc/blob/main/src/quacc/atoms/defects.py