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Bugfix: MPI communication - functionality for pack-unpack arrays needed for linearizing data added #129

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merged 2 commits into from
Sep 5, 2023

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abhishekkhedkar09
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The unpack, pack functions needed for MPI communications were not overridden for the unrestricted case. This lead to the errors seen in emb.make_rdm1() calls with MPI.

…rridden for the unrestricted case. This lead to the errors seen in emb.make_rdm1() calls with MPI.
@abhishekkhedkar09 abhishekkhedkar09 changed the title MPI communication pack-unpack arrays Bugfix Bugfix: MPI communication - functionality for pack-unpack arrays needed for linearizing data added Sep 5, 2023
@ghb24 ghb24 merged commit 44c60bf into master Sep 5, 2023
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@ghb24 ghb24 deleted the fix_uccsd_unpack_MPI_ branch September 5, 2023 22:28
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