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Commits on Nov 7, 2026
- ci(windows): run installed-wheel checks for pushes and pytest.ini changes (#3594)
  psiQAQ
  authored
  6037f7c
Commits on Nov 6, 2026
- Fix wrong Fock matrix for PCM in external stability analysis (#3578)
  henryw7
  authored
  830bf89
- Avoid temporary file collisions in kccsd_t_rhf.py (#3589)
  sunqm
  authored
  93cd214
- Fix conda build
  sunqm
  committed
  f4f101c
- Update the MCfun interface and fix Hermitian XC matrix assembly in KGKS (#3582)
  wtpeter
  authored
  ab749b4
Commits on Nov 5, 2026
- Use dispersion 1.7.0 for D3(CSO), analytical Hessians and ghost handling (#3588)
  
  JiashuLiang
  and
  TRAE CLI
  authored
  38e8382
- Release 2.15.0 (#3476)
  sunqm
  authored
  19ab194
- Define APIs in NumInt class to simplify XC customization (#3396)
  sunqm
  authored
  827a622
Commits on Nov 4, 2026
- fixing a bunch of typos (#3586)
  fchapoton
  authored
  98e436b
Commits on Nov 2, 2026
- Sigma state support in cylindrical-symmetry solver (#3519)
  
  jeanwsr
  and
  sunqm
  authored
  984cf1a
- Fix numerical and API defects (#3532)
  sunqm
  authored
  5ae46b6
Commits on Nov 1, 2026
- Add per-rhs solve for krylov hard cases (#3384)
  
  jeanwsr
  and
  sunqm
  authored
  e00a83f
- Implement the outlying charge correction in the COSMO-RS module (#3421)
  
  JustinKyleKirkland
  and
  sunqm
  authored
  1c6d4a8
Commits on Oct 31, 2026
- Use e_free for conv check for smear scf (#3410)
  jeanwsr
  authored
  fd6b689
- support dft3c (#3403)
  
  jeanwsr
  and
  sunqm
  authored
  5e2d2b9
Commits on Oct 30, 2026
- krylov: use the overlap of the trial vectors in the projected system (#3549)
  michalkrompiec
  authored
  3075fa4
Commits on Oct 29, 2026
Commits on Oct 28, 2026
- grad.mp2._shell_prange: no empty block when a shell is wider than blksize (#3545)
  
  thebreadishard
  and
  claude
  authored
  309f15f
- Add a molecule-specific average moment of inertia to the quasi-RRHO entropy (#3544)
  JustinKyleKirkland
  authored
  30f48cb
Commits on Oct 26, 2026
- Replicate the ECP of every image. (#3542)
  
  xwang862
  and
  claude
  authored
  44313df
- Support specifying the solvent name in ddCOSMO and ddPCM (#3541)
  JustinKyleKirkland
  authored
  651ba23
Commits on Oct 24, 2026
Commits on Oct 22, 2026
- Pass the Hessian's logger to the CPHF solver in hessian.rhf/uhf solve_mo1 and gen_hop (#3531)
  thebreadishard
  authored
  143946e
Commits on Oct 21, 2026
- API updates: restore the normalization for PBC auxcell (#3510)
  sunqm
  authored
  0daa81f
Commits on Oct 19, 2026
- SOC part of GTH pseudo-potential (#3436)
  sunqm
  authored
  58c2c33
- Fix GHF get_jk function (#3524)
  sunqm
  authored
  71b257c
Commits on Oct 18, 2026
- Update libcint version (#3523)
  sunqm
  authored
  3d8a52b
- Fix saturated grid-response derivatives and guard small denominators (#3525)
  sunqm
  authored
  55b925a
- KMP2 padding (#3527)
  xwang862
  authored
  3cf96c7
Commits on Oct 17, 2026
- Various minor fixes (#3526)
  sunqm
  authored
  0371402
- Harden the finite difference driver and use it for Hessians (#3428)
  JustinKyleKirkland
  authored
  9dbb2e8

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