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Commits on Apr 6, 2026

• Merge pull request #188 from jinyuchem/fast_ulnoccsd_t_pr

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  MatthewRHermes

  authored
  919f7a3

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Commits on Mar 30, 2026

• Add a fast version of ulnoccsd_t.py

  jinyuchem

  committed
  0e7750d

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Commits on Mar 26, 2026

• feat: implement sf-tddft gradient and modify TDA_SF initialization

  

  wtpeter

  authored and

  sunqm

  committed
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Commits on Mar 16, 2026

• Merge pull request #186 from sunqm/1.1.1

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  MatthewRHermes

  authored
  ca4ccab

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• Release 1.1.1

  sunqm

  committed
  72566ac

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• Merge pull request #185 from sunqm/184

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  MatthewRHermes

  authored
  7d142ba

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Commits on Mar 14, 2026

• Add a feature tranfer template (#135)

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  sunqm

  authored
  f5453e1

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• Missing file (fix #184)

  sunqm

  committed
  d6149c0

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Commits on Mar 12, 2026

• Merge pull request #183 from JangidBhavnesh/master

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  MatthewRHermes

  authored
  352fa76

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• Fix the mem passing

  JangidBhavnesh

  committed
  7ee7bb5

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• Merge branch 'pyscf:master' into master

  JangidBhavnesh

  authored
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• Pass the mem to avoid some of the mem overflow errors

  JangidBhavnesh

  committed
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Commits on Mar 10, 2026

• Release 1.1.0 (#179)

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  sunqm

  authored
  54e124a

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Commits on Mar 3, 2026

• Plane-Wave Mode (#161)

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  kylebystrom

  and

  sunqm

  authored
  68e6e09

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Commits on Mar 1, 2026

• Completed the initial release of trexio.py. (#182)

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  kousuke-nakano

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Commits on Feb 23, 2026

• TDDFT-ris with an all-in-one krylov solver (#170)

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  3 peopleauthored
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• Add FOMO-CASCI and CASCI with DFT embedding extensions (#167)

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  3 peopleauthored
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Commits on Feb 22, 2026

• Added new features and Fixed a bug in `trexio.py` (#180)

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  kousuke-nakano

  and

  sunqm

  authored
  23e79fa

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Commits on Feb 18, 2026

• Implemented writing ERIs and RDMs to a TREX-IO file. (#168)

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  kousuke-nakano

  authored
  b418ab1

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Commits on Feb 15, 2026

• Merge pull request #178 from wtpeter/on_merlin

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  MatthewRHermes

  authored
  0b42fcc

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Commits on Feb 13, 2026

• Fix lint errors

  wtpeter

  committed
  0e046a6

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Commits on Feb 12, 2026

• refactor spin-flip tddft

  wtpeter

  committed
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Commits on Feb 10, 2026

• Merge pull request #115 from hongzhouye/lnocc

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  MatthewRHermes

  authored
  9481453

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Commits on Feb 9, 2026

• pyscf.lib.reduce doesn't exist (anymore?)

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  MatthewRHermes

  authored and

  fishjojo

  committed
  9c13fcd

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• Merge pull request #5 from jinyuchem/pr-115

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  hongzhouye

  authored
  eef218c

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Commits on Feb 6, 2026

• Remove an unintended import

  jinyuchem

  committed
  0ff0c25

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• Restrict k2s_scf to GDF/RSDF, fix test_makelnordm1.py, and apply style and minor fixes

  jinyuchem

  committed
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Commits on Feb 5, 2026

• Merge pull request #176 from JangidBhavnesh/master

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  MatthewRHermes

  authored
  045ce4e

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• Bug fix

  JangidBhavnesh

  committed
  794af12

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Commits on Feb 4, 2026

• bug fix

  JangidBhavnesh

  committed
  c38b0ce

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• Try to address i/o aspect of #174

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  MatthewRHermes

  authored and

  JangidBhavnesh

  committed
  0f8dac7

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• Add rs_density_fit to the k2s_scf function

  jinyuchem

  committed
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Commits on Jan 20, 2026

• ppRPA: fix bug and improve efficiency (#169)

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  4 peopleauthored
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Commits on Dec 9, 2025

• Merge pull request #4 from afarahva/lnocc

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  hongzhouye

  authored
  0eb73ed

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• added examples

  afarahva

  committed
  df82c96

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