Bump matgl from 1.1.2 to 1.1.3

[dependabot[bot]]

Bumps matgl from 1.1.2 to 1.1.3.

Release notes

Sourced from matgl's releases.

v1.1.3

What's Changed

• Matgl depends on torch==2.2.1 by @​Badasper in materialsvirtuallab/matgl#273
• FrechetCellFilter is added for variable cell relaxation in Relaxer class by @​kenko911 in materialsvirtuallab/matgl#275
• Improve the TensorNet model class coverage by @​kenko911 in materialsvirtuallab/matgl#276
• Improve SO3Net model class coverage and simplify TensorNet implementation by @​kenko911 in materialsvirtuallab/matgl#277
• Improve the coverage in MLP_norm class by @​kenko911 in materialsvirtuallab/matgl#278
• Better Documentation for M3GNet potential training with stresses by @​kenko911 in materialsvirtuallab/matgl#281
• Improve the implementation of three-body interactions in M3GNet by @​kenko911 in materialsvirtuallab/matgl#282
• Optimize the speed of _compute_3body implementation by @​kenko911 in materialsvirtuallab/matgl#283
• Type checking for scheduler is added by @​kenko911 in materialsvirtuallab/matgl#284
• Update M3GNet potential training notebook for the demonstrating of obtaining and using element offset by @​kenko911 in materialsvirtuallab/matgl#288
• Smooth l1 loss function is added and the united tests are improved. by @​kenko911 in materialsvirtuallab/matgl#289
• Merge the predict_structure and featurize_structure into a single method by @​kenko911 in materialsvirtuallab/matgl#290
• Remove unnecessary else statement for calculating magmom loss by @​kenko911 in materialsvirtuallab/matgl#294
• Bump rexml from 3.2.8 to 3.3.2 in /docs by @​dependabot in materialsvirtuallab/matgl#297
• Bump rexml from 3.3.2 to 3.3.3 in /docs by @​dependabot in materialsvirtuallab/matgl#298

New Contributors

• @​Badasper made their first contribution in materialsvirtuallab/matgl#273

Full Changelog: https://github.com/materialsvirtuallab/matgl/compare/v1.1.2...v1.1.3

Changelog

Sourced from matgl's changelog.

1.1.3

• Improve the memory efficiency and speed of three-body interactions. (@​kenko911)
• FrechetCellFilter is added for variable cell relaxation in Relaxer class. (@​kenko911)
• Smooth l1 loss function is added for training. (@​kenko911)

Commits

• c8aad8f Update docs
• 42b0549 Update Change Log
• 07c48d6 Update the version of MatGL to 1.1.3 in pyproject.toml
• f3afb34 Bump rexml from 3.3.2 to 3.3.3 in /docs (#298)
• 133d023 Bump rexml from 3.2.8 to 3.3.2 in /docs (#297)
• 283928f Correct the upper bound of torchdata from 0.8.1 to 0.8.0
• a0d55b5 setup the upper bound of torchdata to avoid crash for users
• 1378286 avoid using torchdata0.8.0 to prevent crash for pytest
• d0bf202 remove the upper bound of torch version
• 12e6c8e Remove unnecessary else statement for calculating magmom loss (#294)
• Additional commits viewable in compare view

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[github-actions[bot]]

:point_left: Launch a binder notebook on branch _pyiron/pyironnodes/dependabot/pip/matgl-1.1.3

[codacy-production[bot]]

Coverage summary from Codacy

See diff coverage on Codacy

Coverage variation	Diff coverage
:white_check_mark: +0.00% (target: -1.00%)	:white_check_mark: ∅

Coverage variation details

| | Coverable lines | Covered lines | Coverage | | ------------- | ------------- | ------------- | ------------- | | Common ancestor commit (07e2fcee62883539239aea0f8cb68e70aedb60dd) | 1246 | 2 | 0.16% | | | Head commit (13e222f9ab9b229e227158100f8be9e8894e9acc) | 1246 (+0) | 2 (+0) | 0.16% (**+0.00%**) | **Coverage variation** is the difference between the coverage for the head and common ancestor commits of the pull request branch: ` - `

Diff coverage details

| | Coverable lines | Covered lines | Diff coverage | | ------------- | ------------- | ------------- | ------------- | | Pull request (#47) | 0 | 0 | **∅ (not applicable)** | **Diff coverage** is the percentage of lines that are covered by tests out of the coverable lines that the pull request added or modified: `/ * 100%`

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[coveralls]

Pull Request Test Coverage Report for Build 10356003214

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 0.161%

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Totals
Change from base Build 10273875010:	0.0%
Covered Lines:	2
Relevant Lines:	1246

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💛 - Coveralls