Issues

• Standardize changelog

  StollLab/CluE#13 · Filter by author stestoll opened on Nov 10, 2026

• Simplify lebedev grid selection

  StollLab/CluE#12 · Filter by author stestoll opened on Nov 10, 2026

• Remove isotopes from ALLOWED_KEYS and use Isotope enum instead for validation

  StollLab/CluE#11 · Filter by author stestoll opened on Nov 10, 2026

• Write resolved config and rand seed

  StollLab/CluE#10 · Filter by author stestoll opened on Nov 10, 2026

• Move output directory and run name in [output]

  StollLab/CluE#9 · Filter by author stestoll opened on Nov 10, 2026

• Remove higher-order operator except standard ZFS

  StollLab/CluE#8 · Filter by author stestoll opened on Nov 10, 2026

• Add validation run

  StollLab/CluE#7 · Filter by author stestoll opened on Nov 10, 2026

• More rigorous validation

  StollLab/CluE#6 · Filter by author stestoll opened on Nov 10, 2026

• 6-element tensor input should be [xx yy zz xy xz yz]

  StollLab/CluE#5 · Filter by author stestoll opened on Nov 10, 2026

• Support PDBx/CIF input file format

  StollLab/CluE#4 · Filter by author stestoll opened on Nov 10, 2026