MPI/OpenMP Hybrid Parallel Algorithm for Hartree−Fock Calculations
Author:
Affiliation:
1. Materials Fundamental Research Division, Toyota Central Research & Development Laboratories, Inc., Nagakute, Aichi 480-1192, Japan
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct100083w
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