All pull requests

Pull requests

• Validate X-ray scattering density

  #155·swf1996120 opened Oct 29, 2026·

  ·

• Validate X-ray energy and wavelength inputs

  #153·swf1996120 opened Oct 29, 2026·

  ·

• Handle zero-mass formula fractions

  #151·swf1996120 opened Oct 29, 2026·

  ·
  1

• Reject invalid mixture quantities

  #149·swf1996120 opened Oct 29, 2026·

  ·

• Validate isotope substitution proportions

  #147·swf1996120 opened Oct 29, 2026·

  ·

• Reject incomplete density annotations in formula parser

  #145·swf1996120 opened Oct 29, 2026·

  ·

• update standard mass and abundance for Zr, Gd, Lu

  #140·pkienzle opened Oct 21, 2026Collaborator·

  ·

• Update docs, with modules sorted alphabetically be description

  #139·pkienzle opened Oct 20, 2026Collaborator·

  ·

• Stabilize cell volumes for highly skew lattice bases

  #137·srijan2607 opened Oct 16, 2026·

  ·
  5

• fix(periodictable/xsf): update Si, Mg and Pt to match CRXO database

  #134·mattgebert opened Sep 30, 2026·

  ·
  1

• Update 150Nd to use the 3-stage Bateman equation for 151Sm levels

  #130·pkienzle opened Jun 5, 2026Collaborator·

  ·
  1

  2

• Replace pyparsing with lark for better error messages

  #124·pkienzle opened Mar 5, 2026Collaborator·

  ·
  3