Skip to content

Issues: CederGroupHub/smol

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

18 Open 77 Closed
18 Open 77 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

How to interpret the clusters with different function ids ?
#501 opened Nov 1, 2024 by txy159
1 task done
[Bug]: smol.moca.SampleContainer requested more memory than the specified number of steps. bug Something isn't working triage
#481 opened Jul 28, 2024 by qchempku2017
2 of 4 tasks
@lbluque @qchempku2017 @kamronald
2
[Bug]: failure in representing cluster scene with crystal_toolkit bug Something isn't working triage
#480 opened Jul 28, 2024 by qchempku2017
2 of 4 tasks
@lbluque @qchempku2017 @kamronald
1
[Bug]: Fail to parse the element or species on prim cell bug Something isn't working
#475 opened Jul 3, 2024 by ghalibalfaza
2 of 4 tasks
5
[Bug]: _gen_composition_ordered_occu in /smol/capp/generate/random.py composition check bug Something isn't working
#471 opened Apr 25, 2024 by mstapelberg
2 of 4 tasks
1
Note for using the Landau-Wang entropy
#438 opened Nov 1, 2023 by Jeff-oakley
6
[Feature Request]: Quick class method to get cluster count and cluster composition
#436 opened Oct 27, 2023 by Jeff-oakley
1 task done
7
Allow setting number of omp threads at the sampler level enhancement New feature or request
#372 opened Jun 6, 2023 by lbluque
@lbluque
Enable printing ClusterExpansion as a latex table documentation Improvements or additions to documentation enhancement New feature or request
#364 opened May 8, 2023 by qchempku2017
@qchempku2017
1
Improve monte-carlo speed further by reducing python overheads enhancement New feature or request
#327 opened Feb 1, 2023 by qchempku2017
@lbluque @qchempku2017
Cross-sublattice swaps enhancement New feature or request
#311 opened Jan 13, 2023 by qchempku2017
@lbluque @AnandoUS @qchempku2017
Complaints on the naming of "enthalpy" in moca code review Discussion and review of a specific source file documentation Improvements or additions to documentation
#295 opened Dec 8, 2022 by qchempku2017
@lbluque @qchempku2017
1
Documentation issues documentation Improvements or additions to documentation
#201 opened May 9, 2022 by MarDiehl
2
Traces as numpy structured arrays enhancement New feature or request
#157 opened Feb 28, 2022 by lbluque
@lbluque
Ewald energies and energy differences from EwaldTerm do not match EwaldSummation for charged cells bug Something isn't working
#155 opened Feb 22, 2022 by lbluque
@lbluque @zhongpc
A more convenient convenience method to create a sampler! enhancement New feature or request wontfix This will not be worked on
#136 opened Sep 2, 2021 by lbluque
1
Cached supercell orbit mappings can make structurewrangler/clustersubspace json files very large
#119 opened Feb 13, 2021 by lbluque
ensemble.processor.occupancy_from_structure not reproducing expected occupancy? bug Something isn't working wontfix This will not be worked on
#111 opened Jan 18, 2021 by juliayang
3
ProTip! Updated in the last three days: updated:>2024-11-25.