All pull requests

Pull requests

• Restore the order-39 Ahrens-Beylkin rule: it is 572 points, not 552

  #113·susilehtola opened Sep 1, 2026Collaborator·

  ·
  1

  2

• Add an arbitrary-precision generator for the angular grid tables

  #110·susilehtola opened Aug 30, 2026Collaborator·

  ·

• README: fix the usage example and the scope and failure claims

  #106·susilehtola opened Aug 29, 2026Collaborator·

  ·

• Diagnose invalid angular grid sizes instead of returning zeros

  #101·susilehtola opened Aug 29, 2026Collaborator·

  ·
  6

• Implementation of the Baker et al radial grid.

  #85·susilehtola opened Oct 3, 2023Collaborator·

  ·
  1

• Lindh-Malmqvist-Gagliardi Radial Grid

  #84·wavefunction91 opened Sep 28, 2023Owner·3 of 4 tasks·

  ·
  1

  9

• [WIP] C API

  #83·wavefunction91 opened Sep 24, 2023Owner·

  ·
  9

• Include tabulated Hartree-Fock wave functions for atoms

  #71·susilehtola opened Aug 11, 2023Collaborator·

  ·
  35

• Add Atomic Partitionings

  #70·wavefunction91 opened Aug 9, 2023Owner·2 of 5 tasks·

  ·
  2

• Add Clang-Format Linter Action

  #33·wavefunction91 opened Jul 8, 2023Owner·

  ·
  1

  2