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graphcore-research / pyscf-ipu

PySCF on IPU
https://github.com/graphcore-research/pyscf-ipu#readme
Apache License 2.0
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Enable pmap for ERI value computation and sparse einsum and DFT integration #134

Open mihaipgc opened 11 months ago

mihaipgc commented 11 months ago

This PR enables pmap for the intor version of the sparse einsum and integrates them with the main DFT code