Code

Enable non-Hermitian MR-LDSRG(2)#399

Code

Merged

fevangelista merged 21 commits intomainevangelistalab/forte:mainfrom enable_nonhermevangelistalab/forte:enable_nonhermCopy head branch name to clipboardAug 7, 2024

+4,790-39

Commits

Commits on Aug 1, 2024

• Remove restriction to unitary for spin-integrated mr-ldsrg2

  brianz98

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  cf98401

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• Add new test to yaml

  brianz98

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  723c5fd

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• Enable spin adapted, only sequential Hbar

  brianz98

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  2d1833f

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Commits on Aug 2, 2024

• Enable nonherm for sequential, and warn unavailable for QC. put back tests

  brianz98

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  786492f

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• Update doc, enable SO, add SO tests

  brianz98

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  a9c9839

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• Disable relaxation for nonherm

  brianz98

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Commits on Aug 5, 2024

• Enable upload logs

  brianz98

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  fb8d891

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• Possible PyBind issue, downgrade python to 3.10

  brianz98

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  9073596

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• Disable sequential

  brianz98

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  c8e6b9e

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• Stop caching block2

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  306ec63

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• Downgrade again

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  ad20d3f

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• Try older version of block2

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Commits on Aug 6, 2024

• Only do dmrg pytest

  brianz98

  committed
  84b67dc

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• Resume caching block2

  brianz98

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  b35e83a

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• Disable DMRG tests now, still compile block2

  brianz98

  committed
  bae3ba2

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• Update build status to GHA

  brianz98

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• Update badge

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• Rename badge

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Commits on Aug 7, 2024

• Re-enable dmrg, try compiling block2 w openblas

  brianz98

  committed
  c072a69

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• Workaround for mkl

  brianz98

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  1751d55

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• Add choices for dsrg_trans_type

  brianz98

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  fd691c7

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