Automatic code generation for many-body electronic structure methods: the tensor contraction engine

@article{Auer2006AutomaticCG,
  title={Automatic code generation for many-body electronic structure methods: the tensor contraction engine},
  author={A. Auer and Gerald Baumgartner and D. Bernholdt and Alina Bibireata and Venkatesh Choppella and D. Cociorva and X. Gao and R. Harrison and S. Krishnamoorthy and S. Krishnan and Chi-Chung Lam and Q. Lu and M. Nooijen and R. Pitzer and J. Ramanujam and P. Sadayappan and A. Sibiryakov},
  journal={Molecular Physics},
  year={2006},
  volume={104},
  pages={211 - 228}
}
As both electronic structure methods and the computers on which they are run become increasingly complex, the task of producing robust, reliable, high-performance implementations of methods at a rapid pace becomes increasingly daunting. In this paper we present an overview of the Tensor Contraction Engine (TCE), a unique effort to address issues of both productivity and performance through automatic code generation. The TCE is designed to take equations for many-body methods in a convenient… Expand
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