2 code implementations • 7 Jul 2020 • David B. Williams-Young, Wibe A. de Jong, Hubertus J. J. van Dam, Chao Yang
We demonstrate the performance and scalability of the implementation of the purposed method in the NWChemEx software package by comparing to the existing scalable CPU XC integration in NWChem.
Computational Physics Distributed, Parallel, and Cluster Computing Chemical Physics