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Diffusivity uncertainty estimates are invalid or systematically underestimated

Status: Open.

#449 In materialyzeai/pymatgen-analysis-diffusion;

· bjmorgan opened on Feb 3, 2026

[Bug]: Docs pages not rendering

bug

Status: Open.

#443 In materialyzeai/pymatgen-analysis-diffusion;

· kavanase opened on Oct 29, 2025

[Feature Request]: option to select diffusing species when calling get_msd_plot in 'sites' mode

Status: Open.

#397 In materialyzeai/pymatgen-analysis-diffusion;

· okibrisli opened on Jun 30, 2024

[Bug]: ValueError: zero-size array to reduction operation maximum which has no identity

bug

Status: Open.

#390 In materialyzeai/pymatgen-analysis-diffusion;

· shwetaphd opened on Jun 1, 2024

setting n_jobs != 1 raises ValueError: not enough values to unpack (expected 3, got 2)

Status: Open.

#343 In materialyzeai/pymatgen-analysis-diffusion;

· DeeliN221 opened on Apr 4, 2023

DiffusionAnalyzer will fail if there is no framework ions

Status: Open.

#342 In materialyzeai/pymatgen-analysis-diffusion;

· zhuyizhou opened on Mar 15, 2023

ProbabilityDensityAnalysis results in strange chargcar

Status: Open.

#310 In materialyzeai/pymatgen-analysis-diffusion;

· thienbinh92 opened on May 18, 2022

Inaccuracy in RDF calculation over several structures

Status: Open.

#28 In materialyzeai/pymatgen-analysis-diffusion;

· vishankkumar opened on Sep 18, 2019