All pull requests

Pull requests

• fix: correct analytical Coulomb potential for p-type Gaussians (#342)

  #343·alok-108 opened Oct 11, 2026·

  ·
  1

  2

• Fix typo in real spherical harmonics docstring

  #340·shanyuin opened Oct 4, 2026·

  ·
  2

• Fix 1D Cartesian orders in generate_orders_horton_order

  #335·SajalDevX opened Sep 26, 2026·

  ·
  1

  2

  

• Add tutorial notebook: Poisson on a molecular grid

  #332·Phantom8420 opened Sep 5, 2026·

  ·
  1

• Enable two-center case in test_poisson_bvp_gives_the_correct_laplacian

  #331·Phantom8420 opened Sep 5, 2026·

  ·
  3

• add Robust_Poisson_Solver tutorial notebook

  #327·Ao-chuba opened Aug 19, 2026Member·

  ·
  2

• Add Kronecker sampler as well as tests and a demonstrating notebook

  #326·Samuel-Vangu opened Aug 16, 2026·

  ·
  4

• Add sobol sampler as well as tests and demonstrating notebook

  #325·Samuel-Vangu opened Aug 16, 2026·

  ·
  7

• Add LatinHypercube sampler as well as tests and a demonstrating notebook

  #324·Samuel-Vangu opened Aug 15, 2026·

  ·
  4

• Add Halton low-discrepancy sequence grid

  #323·Zohaibcode740 opened Aug 15, 2026·

  ·
  12

• Fix Trefethen(Strip)General

  #305·merreeves opened May 29, 2026·

  ·
  5

• fix: improve Poisson solver IVP robustness (#162)

  #303·alok-108 opened May 27, 2026·

  ·
  1

  10

• Feature/scipy interpolation issue 261

  #295·Ao-chuba opened Feb 24, 2026Member·

  ·
  1

  1

• Add lattice rules for (hyper)cubic grid integration

  #293·Ao-chuba opened Feb 10, 2026Member·

  ·
  1

  9

• Adds get_atomic_property method (issue #216)

  #292·dhruvDev23 opened Feb 7, 2026Member·

  ·
  2

• Fix cubic interpolation bounds handling

  #287·daksha607 opened Jan 3, 2026·

  ·

• Implement interpolation on parallelepiped grids (issue #242)

  #281·dhruvDev23 opened Oct 25, 2025Member·

  ·

• GSOC 2025: Implement adaptive uniformgrid refinement

  #280·tutou2356 opened Aug 6, 2025·

  ·
  10

• GSOC 2025: Add electron density integration tools and BFit data processor

  #279·tutou2356 opened Jul 2, 2025·

  ·
  9

• feat: Add test for solid harmonic moment translation (#159)

  #276·tutou2356 opened Apr 4, 2025·

  ·
  2

• Created Nested_Angluar_Grid.ipynb

  #274·izxle opened Mar 15, 2025Collaborator·

  ·
  9

• Rough example using periodic grid

  #214·marco-2023 opened Jan 5, 2024Collaborator·

  ·
  2