build(deps): bump matgl from 1.0.0 to 1.1.3

[dependabot[bot]]

Bumps matgl from 1.0.0 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

v1.1.2

• Move AtomRef Fitting to numpy to avoid bug (@​BowenD-UCB)
• NVE ensemble added (@​kenko911)
• Migrate from pytorch_lightning to lightning.

v1.1.1

• Pin dependencies to support latest DGL 2.x. @​kenko911

v1.1.0

• Implementation of CHGnet + pre-trained models. (@​BowenD-UCB)

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)

1.1.2

• Move AtomRef Fitting to numpy to avoid bug (@​BowenD-UCB)
• NVE ensemble added (@​kenko911)
• Migrate from pytorch_lightning to lightning.

1.1.1

• Pin dependencies to support latest DGL 2.x. @​kenko911

1.1.0

• Implementation of CHGnet + pre-trained models. (@​BowenD-UCB)

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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[dependabot[bot]]

Looks like matgl is up-to-date now, so this is no longer needed.