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Commits on Feb 26, 2025

• Repair #108 and add all-spin-up unittest (#112) (#113)

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  MatthewRHermes

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Commits on Feb 25, 2025

• Merge pull request #114 from Dayou-Zhang/otfnal-custom

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  MatthewRHermes

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Commits on Feb 24, 2025

• Merge branch 'pyscf:master' into otfnal-custom

  Dayou-Zhang

  authored
  b437dce

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• Fix case convention in register_otfnal

  Dayou-Zhang

  committed
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Commits on Feb 18, 2025

• Merge pull request #108 from matthew-hennefarth/fix-get-ratio

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  MatthewRHermes

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Commits on Feb 17, 2025

• have it so only if Pi different from 0 (as we do not divide by Pi anywhere)

  matthew-hennefarth

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• fix get_ratio and add N12 tests to get_pdft_veff

  matthew-hennefarth

  committed
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Commits on Jan 28, 2025

• Fix pypi release pipeline

  sunqm

  committed
  c6b7f4e

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Commits on Jan 24, 2025

• Merge pull request #102 from shuhangli98/dsrg-mrpt

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  MatthewRHermes

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  bc57364

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Commits on Jan 23, 2025

• fix

  shuhangli98

  committed
  01053c7

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Commits on Jan 22, 2025

• Merge pull request #104 from sunqm/1.0.3

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  MatthewRHermes

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Commits on Jan 20, 2025

• Release 1.0.3

  sunqm

  committed
  28590c3

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• Staggered mesh method for PBC exact exchange (#98)

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  stephen-quiton

  and

  sunqm

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Commits on Jan 16, 2025

• Add comments

  shuhangli98

  committed
  f649e75

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• add citations and examples

  shuhangli98

  committed
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Commits on Jan 13, 2025

• Merge branch 'master' into dsrg-mrpt

  shuhangli98

  committed
  2165465

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• fix tests

  shuhangli98

  committed
  9f9c1b4

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Commits on Jan 10, 2025

• PySCF v2.8.0 compatibility

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  MatthewRHermes

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  sunqm

  committed
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• Merge pull request #99 from JangidBhavnesh/master

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  MatthewRHermes

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Commits on Jan 9, 2025

• Typo fixed

  JangidBhavnesh

  committed
  18ea1b1

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Commits on Jan 8, 2025

• Sanity check added for cell object

  JangidBhavnesh

  committed
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Commits on Jan 6, 2025

• Merge pull request #97 from jeanwsr/cmake-xc

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  MatthewRHermes

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Commits on Jan 4, 2025

• Merge pull request #95 from baopengbp/master

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  MatthewRHermes

  authored
  bbbd592

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• copy pyscf solution

  jeanwsr

  committed
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Commits on Jan 3, 2025

• Merge pull request #93 from JangidBhavnesh/master

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  MatthewRHermes

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• Merge pull request #1 from MatthewRHermes/tMGGA

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  JangidBhavnesh

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• Updated the citation.

  JangidBhavnesh

  authored
  1625e2e

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• Merge branch 'master' into tMGGA

  MatthewRHermes

  committed
  dff38e3

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• 'MC23': 'tMC23' alias in otfnal

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  MatthewRHermes

  committed
  520e057

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• Merge pull request #96 from jeanwsr/pdft

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  MatthewRHermes

  authored
  33f8dc4

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• fix ftrans

  jeanwsr

  committed
  c730061

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• add XC_DIR

  jeanwsr

  committed
  0887d48

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• fix unnecessary pi deriv

  jeanwsr

  committed
  18900a5

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• Update noci.py，fix output of dEs and dSplit

  baopengbp

  authored
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Commits on Dec 31, 2024

• Merge branch 'master' of github.com:pyscf/pyscf-forge

  jeanwsr

  committed
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