Issues

• Replace np.tensordot(..., axes=0) with np.outer for faster and clearer outer product

  CederGroupHub/smol#552 · Filter by author SaFE-APIOpt opened on Sep 1, 2025

• How to generate structures for energy calculations (e.g., data/lno_entries.json)?

  CederGroupHub/smol#543 · Filter by author jrjfonseca opened on Jul 24, 2025
  2

• Question: How to use non linear models for MC steps

  CederGroupHub/smol#532 · Filter by author tankylz opened on Mar 15, 2025

• Note for using the Landau-Wang entropy

  question
  CederGroupHub/smol#438 · Filter by author Jeff-oakley opened on Nov 1, 2023
  6

• [Feature Request]: Quick class method to get cluster count and cluster composition

  enhancement
  Feature

  CederGroupHub/smol#436 · Filter by author Jeff-oakley opened on Oct 27, 2023
  7

• Allow setting number of omp threads at the sampler level

  enhancement
  CederGroupHub/smol#372 · Filter by author lbluque opened on Jun 6, 2023
  

• Enable printing ClusterExpansion as a latex table

  documentationenhancement
  CederGroupHub/smol#364 · Filter by author qchempku2017 opened on May 8, 2023
  1

  

• Improve monte-carlo speed further by reducing python overheads

  enhancement
  CederGroupHub/smol#327 · Filter by author qchempku2017 opened on Feb 1, 2023
  

• Cross-sublattice swaps

  enhancement
  CederGroupHub/smol#311 · Filter by author qchempku2017 opened on Jan 13, 2023
  

• Complaints on the naming of "enthalpy" in moca

  code reviewdocumentation
  CederGroupHub/smol#295 · Filter by author qchempku2017 opened on Dec 8, 2022
  1

  

• Documentation issues

  documentation
  CederGroupHub/smol#201 · Filter by author MarDiehl opened on May 9, 2022
  2

• Traces as numpy structured arrays

  enhancement
  CederGroupHub/smol#157 · Filter by author lbluque opened on Feb 28, 2022
  

• Ewald energies and energy differences from EwaldTerm do not match EwaldSummation for charged cells

  bug
  CederGroupHub/smol#155 · Filter by author lbluque opened on Feb 22, 2022
  

• A more convenient convenience method to create a sampler!

  enhancementwontfix
  CederGroupHub/smol#136 · Filter by author lbluque opened on Sep 2, 2021
  1

• Cached supercell orbit mappings can make structurewrangler/clustersubspace json files very large

  CederGroupHub/smol#119 · Filter by author lbluque opened on Feb 13, 2021

• ensemble.processor.occupancy_from_structure not reproducing expected occupancy?

  bugwontfix
  CederGroupHub/smol#111 · Filter by author juliayang opened on Jan 18, 2021
  3