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Commits on Dec 1, 2025

• Merge pull request #29 from Warlocat/hhinit

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  lijiachen417

  authored
  b95dea4

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• change init guess for hh to orbital pairs with highest energies

  Warlocat

  committed
  8e4e637

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Commits on Oct 9, 2025

• Merge pull request #27 from scohenjanes5/io-tweaks

  lijiachen417

  authored
  d7685bf

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• add utility function to read ppRPA dump files

  scohenjanes5

  committed
  bdcd478

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Commits on Sep 26, 2025

• Merge pull request #26 from scohenjanes5/io-tweaks

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  lijiachen417

  authored
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• name output fnames same as that of dump_file

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  scohenjanes5

  committed
  37e7142

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• Factor out writing to dump_file

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  scohenjanes5

  committed
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Commits on Sep 22, 2025

• move ppRPA-W related code to the screening folder

  lijiachen417

  committed
  4561c3d

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Commits on Sep 2, 2025

• Merge pull request #25 from pi246/main

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  lijiachen417

  authored
  5be9218

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• implement spin-adapted W matrix

  pi246

  committed
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Commits on Aug 26, 2025

• Extend oscillator strength tests to PBC defect systems (#23)

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  scohenjanes5

  authored
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Commits on Aug 25, 2025

• support get_fxc for meta-GGA

  lijiachen417

  committed
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Commits on Aug 24, 2025

• Merge pull request #22 from pi246/main

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  pi246

  authored
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• skip fxc calculation when use_rpa4=='all'

  pi246

  committed
  7855714

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Commits on Aug 23, 2025

• Merge pull request #21 from pi246/main

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  pi246

  authored
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• add with_screening switch for dubugging

  pi246

  committed
  9c8081e

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• update RPA options : 'none', 'response', and 'all'

  pi246

  committed
  229d316

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• add rpa switch for get_K

  pi246

  committed
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Commits on Aug 22, 2025

• add W matrix trunction for same spin diag

  pi246

  committed
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Commits on Jul 16, 2025

• fix an incorrect revert for spin-adapted oscillator strength

  lijiachen417

  committed
  85cf04c

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• Merge pull request #20 from lijiachen417/revert-19-main

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  lijiachen417

  authored
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• Revert "Add spin-adapted oscillator strengths"

  lijiachen417

  authored
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• Merge pull request #19 from scohenjanes5/main

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  lijiachen417

  authored
  48e5c97

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• Remove ab code and simplify flags

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  scohenjanes5

  committed
  8e98b15

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• Add spin-adapted oscillator strengths

  scohenjanes5

  committed
  951e585

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Commits on Jul 7, 2025

• fix a bug in Davidson when _use_Lov is False

  lijiachen417

  committed
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Commits on Jun 29, 2025

• Merge pull request #15 from pi246/main

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  pi246

  authored
  ec7a7fd

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• Merge branch 'screening'

  pi246

  committed
  b59bf7c

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• Add GSC2 calc for debugging

  pi246

  committed
  bd317ba

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• ppRPA+W with optional fractional electrons

  pi246

  committed
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Commits on Mar 15, 2025

• add Cholesky decomposition to get Lpq

  lijiachen417

  committed
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Commits on Mar 10, 2025

• Merge pull request #13 from lijiachen417/davidson-opt

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  lijiachen417

  authored
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Commits on Mar 6, 2025

• Merge pull request #11 from Warlocat/4pr

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  lijiachen417

  authored
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Commits on Mar 4, 2025

• Merge pull request #12 from lijiachen417/load-cderi-mols

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  lijiachen417

  authored
  ced8203

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• add appropriate exception to handle

  scohenjanes5

  committed
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