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Question about radius in BOWSR readme example

7

This might be a dumb question. In the [BOWSR readme example](https://github.com/materialsvirtuallab/maml/tree/a37f78a/maml/apps/bowsr#relaxed-structure), why the rounding? And is the 0.6 factor an approximation for getting the larger element's radius? `expected_radius()` might be...

janosh

[Bug]: Running error in the nnp example in notebook

1

### Email (Optional) _No response_ ### Version 2023.9.9 ### Which OS(es) are you using? - [ ] MacOS - [ ] Windows - [X] Linux ### What happened? 1、I encountered...

DRRXYY

Running error in the mtp example in notebook

1

### Email (Optional) [email protected] ### Version v2023.9.9 ### Which OS(es) are you using? - [X] MacOS - [ ] Windows - [ ] Linux ### What happened? Dear Sir, I...

tomblister

Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2023.10.11 to 2024.2.8. Release notes Sourced from pymatgen's releases. v2024.2.8 What's Changed 🐛 Bug Fixes Fix Vasprun.get_potcars search method; tweak fake POTCARs by @​esoteric-ephemera in materialsproject/pymatgen#3587 🛠...

dependabot[bot]

Bumps [torch](https://github.com/pytorch/pytorch) from 2.1.0 to 2.2.0. Release notes Sourced from torch's releases. PyTorch 2.2: FlashAttention-v2, AOTInductor PyTorch 2.2 Release Notes Highlights Backwards Incompatible Changes Deprecations New Features Improvements Bug fixes...

dependabot[bot]

Bump pytest from 7.4.3 to 8.0.0

1

Bumps [pytest](https://github.com/pytest-dev/pytest) from 7.4.3 to 8.0.0. Release notes Sourced from pytest's releases. pytest 8.0.0 (2024-01-27) See 8.0.0rc1 and 8.0.0rc2 for the full changes since pytest 7.4! Bug Fixes #11842: Properly...

dependabot[bot]

M3GNetSite describer; DIRECT samples smallest cells possible

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## Summary Addition of functionalities for DIRECT sampling and describer. All are covered by tests. Major changes: - Add M3GNetSite as a describer. - Add "smallest" and "random" as `selection_criteria`...

JiQi535

Bump cvxpy from 1.4.1 to 1.4.2

1

Bumps [cvxpy](https://github.com/cvxpy/cvxpy) from 1.4.1 to 1.4.2. Release notes Sourced from cvxpy's releases. v1.4.2 This is a patch release for 1.4. The patch includes a variety of fixes: SCIP return solution...

dependabot[bot]

Bumps [tensorflow](https://github.com/tensorflow/tensorflow) from 2.14.0 to 2.16.0. Release notes Sourced from tensorflow's releases. TensorFlow 2.15.0 Release 2.15.0 TensorFlow Breaking Changes tf.types.experimental.GenericFunction has been renamed to tf.types.experimental.PolymorphicFunction. Major Features and Improvements oneDNN...

dependabot[bot]

Bumps [scikit-learn](https://github.com/scikit-learn/scikit-learn) from 1.3.2 to 1.4.0. Commits 46b5f54 trigger wheel builder [cd build] 262e21d update version edb474b REL Update what's new and index for 1.4.0 final (#28148) e282c54 DOC 1.4...

dependabot[bot]