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CubicCauchyBorn assumes a centrosymmetric crystal (±0.5 sublattice split) — incorrect for zincblende/non-centrosymmetric multilattices

Status: Open.

#322 In libAtoms/matscipy;

· jameskermode opened on Jun 30, 2026

ring statistics

bug

Status: Open.

Bug

#284 In libAtoms/matscipy;

· richardjana opened on Nov 14, 2025

Generalization of elastic constant transformation for general basis change.

enhancement

Status: Open.

#271 In libAtoms/matscipy;

· hongyi-zhao opened on Oct 26, 2024

Better handling for atomman and ovito optional deps

enhancement

Status: Open.

#269 In libAtoms/matscipy;

· thomas-rocke opened on Oct 9, 2024

Add documentation of optional dependencies to README/Sphinx docs

enhancement

Status: Open.

#268 In libAtoms/matscipy;

· thomas-rocke opened on Oct 9, 2024

Dependency Dashboard

Status: Open.

#253 In libAtoms/matscipy;

· renovate opened on Jul 16, 2024

Autogenerate documentation previews on pull requests in CI

enhancement

Status: Open.

#214 In libAtoms/matscipy;

· jotelha opened on Jan 12, 2024

Generalise surface reconstruction code

enhancement

Status: Open.

#203 In libAtoms/matscipy;

· jameskermode opened on Nov 15, 2023

Documentation appearance

enhancement

question

Status: Open.

#202 In libAtoms/matscipy;

· pgrigorev opened on Nov 11, 2023

Common format/API for hessians

enhancement

question

Status: Open.

#118 In libAtoms/matscipy;

· prs513rosewood opened on Dec 8, 2022

·  

JOSS Submission

Switch to pybind11

enhancement

question

Status: Open.

#96 In libAtoms/matscipy;

· pastewka opened on Mar 7, 2022

Possible improvement for method 'alpha_num_order'

enhancement

Status: Open.

#75 In libAtoms/matscipy;

· OshinoMoumou opened on May 30, 2021