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Bump chgnet from 0.2.2 to 0.3.0 #590

Merged
merged 4 commits into from
Oct 27, 2023
Merged

Bump chgnet from 0.2.2 to 0.3.0 #590

merged 4 commits into from
Oct 27, 2023

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@dependabot dependabot bot commented on behalf of github Oct 23, 2023

Bumps chgnet from 0.2.2 to 0.3.0.

Release notes

Sourced from chgnet's releases.

v0.3.0

0.3.0 version: Improved pretrained weights released

We release the most recent pretrained model: CHGNet 0.3.0 🎉 (see details) CHGNet.load() now defaults to '0.3.0' version.

Major changes:

  1. Increased AtomGraph cutoff to 6A #55
  2. Resolved discontinuity issue when no BondGraph presents #79
  3. Added some normalization layers
  4. Slight improvements on energy, force, stress accuracies

Full Changelog: CederGroupHub/chgnet@v0.2.2...v0.3.0

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Bumps [chgnet](https://github.com/CederGroupHub/chgnet) from 0.2.2 to 0.3.0.
- [Release notes](https://github.com/CederGroupHub/chgnet/releases)
- [Commits](CederGroupHub/chgnet@v0.2.2...V0.3.0)

---
updated-dependencies:
- dependency-name: chgnet
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot bot added the dependencies Pull requests that update a dependency file label Oct 23, 2023
@janosh janosh force-pushed the dependabot/pip/chgnet-0.3.0 branch from 69aa9d6 to 50ea579 Compare October 27, 2023 14:07
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codecov bot commented Oct 27, 2023

Codecov Report

Merging #590 (50ea579) into main (104244d) will not change coverage.
Report is 2 commits behind head on main.
The diff coverage is n/a.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #590   +/-   ##
=======================================
  Coverage   75.57%   75.57%           
=======================================
  Files          83       83           
  Lines        6793     6793           
  Branches     1001     1001           
=======================================
  Hits         5134     5134           
  Misses       1348     1348           
  Partials      311      311           

@janosh janosh merged commit d464012 into main Oct 27, 2023
7 checks passed
@janosh janosh deleted the dependabot/pip/chgnet-0.3.0 branch October 27, 2023 14:20
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