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Fix inconsistencies in rank-local SVD wrapper #263

Merged
merged 4 commits into from
Apr 2, 2021
Merged

Fix inconsistencies in rank-local SVD wrapper #263

merged 4 commits into from
Apr 2, 2021

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wavefunction91
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@wavefunction91 wavefunction91 commented Mar 25, 2021 •
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Addresses #262

This PR implements the following changes:

  1. The rank-local SVD wrapper now does the "right" thing viz reallocating U/VT to the right dimensions based on the desired outputs.
  2. Changes the default behaviour to be "SomeVec" as opposed to "AllVec" to coincide with ScaLAPACK APIs
  3. Adds flexibility in the rank-local SVD wrapper to allow for all allowable "Job" types for XGESVD in LAPACK

@evaleev evaleev requested a review from asadchev April 2, 2021 15:48
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evaleev commented Apr 2, 2021

@asadchev please have a look

@evaleev evaleev merged commit 96783eb into ValeevGroup:master Apr 2, 2021
@wavefunction91 wavefunction91 mentioned this pull request Apr 5, 2021
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@evaleev evaleev evaleev approved these changes

@asadchev asadchev Awaiting requested review from asadchev

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@wavefunction91 @evaleev @asadchev