Commits

Commit history

1. Commits on Oct 30, 2026

   • Implement FC-SAFT equation of state

     prehner

     committed
     c552ef8View commit details

     Copy full SHA for c552ef8

     Browse repository at this point
2. Commits on Oct 27, 2026

   • Fix performance regressions in the Newton solver and isotherm calculation (#404)

     prehner

     committed
     aabc02bView commit details

     Copy full SHA for aabc02b

     Browse repository at this point

   • Implement other association models (#403)

     prehner

     committed
     906af97View commit details

     Copy full SHA for 906af97

     Browse repository at this point

   • Guard association term against FFT ringing artefacts (#398)

     Show description for f84f46a
     

     bebuhk

     authored and

     prehner

     committed
     f84f46aView commit details

     Copy full SHA for f84f46a

     Browse repository at this point

   • Clean documentation for release (#395)

     prehner

     committed
     5946fb4View commit details

     Copy full SHA for 5946fb4

     Browse repository at this point

   • Updates to the DFT theory guide (#388)

     Show description for 5b35ada
     prehner

     committed
     5b35adaView commit details

     Copy full SHA for 5b35ada

     Browse repository at this point

   • Revive curved interfaces

     prehner

     committed
     68f6bf4View commit details

     Copy full SHA for 68f6bf4

     Browse repository at this point

   • update DFT notebooks

     prehner

     committed
     6af5c80View commit details

     Copy full SHA for 6af5c80

     Browse repository at this point

   • Update changelog

     prehner

     committed
     e77fef8View commit details

     Copy full SHA for e77fef8

     Browse repository at this point

   • Use rayon to parallelize the evaluation of the functional

     prehner

     committed
     8a800efView commit details

     Copy full SHA for 8a800ef

     Browse repository at this point

   • Extend Newton solver to DFT specifications other than chemical potentials

     prehner

     committed
     fda561cView commit details

     Copy full SHA for fda561c

     Browse repository at this point

   • Fix calculation of bulk state when moles are specified (#382)

     prehner

     committed
     a877757View commit details

     Copy full SHA for a877757

     Browse repository at this point

   • Update to num-dual v0.15

     prehner

     committed
     1047a47View commit details

     Copy full SHA for 1047a47

     Browse repository at this point

   • Restructure Python DFT interface (#376)

     prehner

     committed
     3307b2bView commit details

     Copy full SHA for 3307b2b

     Browse repository at this point

   • Pass external potentials as quantities and always cap them consistently (#372)

     prehner

     committed
     47ba322View commit details

     Copy full SHA for 47ba322

     Browse repository at this point

   • Implement DFT at fixed moles (#371)

     prehner

     committed
     2470973View commit details

     Copy full SHA for 2470973

     Browse repository at this point

   • Clean the implementation of temperature_or_pressure arguments somewhat (#369)

     prehner

     committed
     ce6584dView commit details

     Copy full SHA for ce6584d

     Browse repository at this point
3. Commits on Oct 26, 2026

   • Performance improvements (allocations) (#397)

     Show description for c152cb8
     

     g-bauer

     and

     claude

     authored
     c152cb8View commit details

     Copy full SHA for c152cb8

     Browse repository at this point
4. Commits on Oct 24, 2026

   • Release v0.10.5

     prehner

     committed
     14d2956View commit details

     Copy full SHA for 14d2956

     Browse repository at this point

   • Fix more regressions introduced in v0.10.0 (or before) (#402)

     prehner

     authored
     0c49fbcView commit details

     Copy full SHA for 0c49fbc

     Browse repository at this point
5. Commits on Oct 21, 2026

   • Release v0.10.4

     prehner

     committed
     6f4b681View commit details

     Copy full SHA for 6f4b681

     Browse repository at this point

   • Fix regressions introduced in v0.10.0 (#400)

     prehner

     authored
     6c0fa7bView commit details

     Copy full SHA for 6c0fa7b

     Browse repository at this point
6. Commits on Oct 15, 2026

   • Fix tuple indexing in `_density_iteration` (#396)

     Show description for af84e3f
     g-bauer

     authored
     af84e3fView commit details

     Copy full SHA for af84e3f

     Browse repository at this point
7. Commits on Oct 14, 2026

   • Release v0.10.3

     prehner

     committed
     1d9602aView commit details

     Copy full SHA for 1d9602a

     Browse repository at this point

   • Also fix roundoff errors in PcSaftPure (#394)

     prehner

     authored
     49ee6ceView commit details

     Copy full SHA for 49ee6ce

     Browse repository at this point
8. Commits on Oct 13, 2026

   • Fix numerical roundoff errors in the analytic solution of association site fractions for asymmetric association schemes (#393)

     prehner

     authored
     59ad1adView commit details

     Copy full SHA for 59ad1ad

     Browse repository at this point
9. Commits on Oct 12, 2026

   • Fix emscripten wheel

     prehner

     committed
     e1c16a0View commit details

     Copy full SHA for e1c16a0

     Browse repository at this point

   • Release v0.10.2

     prehner

     committed
     ad7d06fView commit details

     Copy full SHA for ad7d06f

     Browse repository at this point

   • Fix analytic solution of association site fractions for mixtures (#391)

     prehner

     authored
     809808aView commit details

     Copy full SHA for 809808a

     Browse repository at this point
10. Commits on Oct 5, 2026

    • Fix parsing of binary group/group interaction parameters (#389)

      prehner

      authored
      33e0e40View commit details

      Copy full SHA for 33e0e40

      Browse repository at this point
11. Commits on Sep 28, 2026

    • Add predicted kij from Hemprich et al

      prehner

      committed
      246e563View commit details

      Copy full SHA for 246e563

      Browse repository at this point
12. Commits on Sep 8, 2026

    • Fixed transposed jacobian layout in binary association (#386)

      Show description for 1b956cf
      g-bauer

      authored
      1b956cfView commit details

      Copy full SHA for 1b956cf

      Browse repository at this point
13. Commits on Aug 27, 2026

    • Fix documentation workflow

      prehner

      authored
      f1fd55dView commit details

      Copy full SHA for f1fd55d

      Browse repository at this point
14. Commits on Aug 14, 2026

    • Fill in empty k_ij=0 values in rehner2023_binary.json

      prehner

      committed
      8961acaView commit details

      Copy full SHA for 8961aca

      Browse repository at this point
15. Commits on Jul 24, 2026

    • Bumb version to 0.10.1

      g-bauer

      committed
      c658aeaView commit details

      Copy full SHA for c658aea

      Browse repository at this point