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Eqv2 support#2

Merged
nimashoghi merged 3 commits into
nshv2from
nshv2-eqv2
Nov 6, 2024
Merged

Eqv2 support#2
nimashoghi merged 3 commits into
nshv2from
nshv2-eqv2

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Extracts the Voigt notation to 3x3 stress matrix conversion function
to a shared utility file, promoting code reuse and maintainability.
- Implement EqV2BackboneConfig and EqV2BackboneModule
- Create output heads for energy, forces, and stresses, as well as arbitrary scalar graph properties
- Include example notebook demonstrating usage for OMAT24 dataset
@nimashoghi nimashoghi changed the base branch from main to nshv2 November 6, 2024 20:00
@nimashoghi nimashoghi merged commit d3c98d4 into nshv2 Nov 6, 2024
Lingyu-Kong pushed a commit that referenced this pull request Aug 25, 2025
Lingyu-Kong pushed a commit that referenced this pull request Oct 24, 2025
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