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Add a way to query the components/properties associated with an output ahead of time

Status: Open.

#271 In metatensor/metatomic;

· Luthaf opened on Jun 26, 2026

Consider adding support for energy_ensemble in DFT-D3 wrapper

Status: Open.

#260 In metatensor/metatomic;

· Luthaf opened on Jun 11, 2026

Cannot build with global target directory

Status: Open.

#236 In metatensor/metatomic;

· johannes-spies opened on May 28, 2026

ORCA - external optimizer interface

enhancementNew feature or requestNew feature or request

Status: Open.

#228 In metatensor/metatomic;

· bananenpampe opened on May 18, 2026

pick_device has different semantics in C++ and Python

Status: Open.

#176 In metatensor/metatomic;

· Luthaf opened on Mar 10, 2026

maint: normalize_variants as part of pick_output

Status: Open.

#153 In metatensor/metatomic;

· HaoZeke opened on Feb 5, 2026

Stress warning for non-periodic structure

Status: Open.

#139 In metatensor/metatomic;

· frostedoyster opened on Jan 11, 2026

Allowing the "features" output to have rotational information.

Status: Open.

#131 In metatensor/metatomic;

· pfebrer opened on Dec 12, 2025

Tutorials for rotational averages

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#114 In metatensor/metatomic;

· ppegolo opened on Nov 3, 2025

Functionality/Tutorial for changing ModelMetadata and ModelOutput

documentationImprovements or additions to documentationImprovements or additions to documentation

enhancementNew feature or requestNew feature or request

Status: Open.

#106 In metatensor/metatomic;

· PicoCentauri opened on Oct 15, 2025

Explicit communication inside models running with domain decomposition

enhancementNew feature or requestNew feature or request

Status: Open.

#82 In metatensor/metatomic;

· Luthaf opened on Sep 2, 2025

"any" atom type

Status: Open.

#56 In metatensor/metatomic;

· ceriottm opened on Jul 12, 2025