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Commits on Sep 27, 2026
- Fix convergence failure for tight r_convergence. (#3572)
  JonathonMisiewicz
  authored
  da101ee
Commits on Sep 20, 2026
- Fix indexing error leading to #3568 correctness error. (#3570)
  JonathonMisiewicz
  authored
  258591c
Commits on Sep 15, 2026
- Fix order-dependent mixed-basis ECP integrals (#3555)
  hhjhhaaa
  authored
  1cef822
Commits on Sep 12, 2026
- Fix MP2-F12 when linear dependencies are removed from a basis (#3505)
  
  JustinKyleKirkland
  and
  claude
  authored
  1fb8968
Commits on Sep 6, 2026
- Replace libfilesystem with std::filesystem (#3529)
  
  susilehtola
  and
  claude
  authored
  f234e73
- Add some CDJK regression tests (#3522)
  TiborGY
  authored
  cd219bb
Commits on Sep 5, 2026
- libpsio: factor unit-filename generation out of open() and exists() (#3515)
  
  susilehtola
  and
  claude
  authored
  1107251
- Remove dead libmints/fjt Boys-function module (#3523)
  Show description for 67ef319
  
  susilehtola
  and
  claude
  authored
  67ef319
- docs: stop fetching SciPy's objects.inv on every CI build (#3535)
  
  TiborGY
  and
  claude
  authored
  e8935af
- Windows Azure early exit (#3536)
  loriab
  authored
  5da6bbf
Commits on Sep 4, 2026
- Fix DLPNO-CC CTest labels to match the docs, remove traces of ADCC tests (#3533)
  TiborGY
  authored
  9ef8c6e
Commits on Aug 29, 2026
- libpsio: remove multi-volume file striping (#3452)
  
  susilehtola
  and
  claude
  authored
  cd6027d
Commits on Aug 26, 2026
- Query LibXC exact-exchange parameters by default for composed functionals (#3509)
  
  susilehtola
  and
  claude
  authored
  a645e17
Commits on Aug 25, 2026
- Clean up confusing is_core handling between DiskDFJK and CDJK (#3500)
  TiborGY
  authored
  dad6497
Commits on Aug 24, 2026
- Update matrix includes and Eigen for faster builds (#3504)
  
  NathanGillispie
  and
  susilehtola
  authored
  1e5d928
Commits on Aug 23, 2026
- fix CI on Windows (#3502)
  loriab
  authored
  da94da4
Commits on Aug 21, 2026
Commits on Aug 20, 2026
Commits on Aug 18, 2026
- use v1 conda compilers for now (#3485)
  loriab
  authored
  0a264c0
Commits on Aug 14, 2026
- Thread the density-fitted and one-electron nuclear-Hessian integral loops (#3478)
  
  susilehtola
  and
  claude
  authored
  e046c47
- Don't allocate the exchange-Hessian intermediates when there is no exchange (#3483)
  
  susilehtola
  and
  claude
  authored
  30c6bb5
Commits on Aug 12, 2026
- libiwl: add standalone round-trip test (#3465)
  
  susilehtola
  and
  claude
  authored
  5119521
Commits on Aug 11, 2026
- Add missing include (#3481)
  susilehtola
  authored
  55b2277
Commits on Aug 10, 2026
- Fix SADGuess.build_SAD binding for pybind11 3.x (return shared_ptr) (#3480)
  
  susilehtola
  and
  claude
  authored
  1ddd0b3
Commits on Aug 8, 2026
- Gate DFT method registration on runtime LibXC availability (#3475)
  
  susilehtola
  and
  claude
  authored
  be64f88
Commits on Jul 24, 2026
- Finish moving CDJK::cderi_ into initialize_JK_core (#3453)
  TiborGY
  authored
  a260858
Commits on Jul 15, 2026
- libpsio: modernize config.h constants + add round-trip test (#3429) (#3430)
  
  susilehtola
  and
  claude
  authored
  ae6ed69
Commits on Jul 11, 2026
- make qcmanybody optional (#3389)
  
  loriab
  and
  Lori A. Burns
  authored
  1af240f
Commits on Jul 8, 2026
- toward aotoso/sotoao inverses (#3437)
  
  loriab
  and
  Lori A. Burns
  authored
  a1c38bf

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