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release please
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Franklalalala committed Apr 12, 2024
1 parent ed8bcc8 commit b8916cd
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2 changes: 1 addition & 1 deletion .github/workflows/release-please.yml
Original file line number Diff line number Diff line change
Expand Up @@ -13,7 +13,7 @@ jobs:
release-please:
runs-on: ubuntu-latest
steps:
- uses: google-github-actions/release-please-action@v3
- uses: google-github-actions/release-please-action@v4
with:
release-type: simple
package-name: release-please-action
1 change: 1 addition & 0 deletions src/combinemols3d/CombineMols3D.py
Original file line number Diff line number Diff line change
Expand Up @@ -131,6 +131,7 @@ def combine_2_mols_with_dummy(molecule_1: Atoms, molecule_2: Atoms, dummy_atom_i
return combinend_mol



if __name__ == '__main__':
from ase.visualize import view
from ase.build.molecule import molecule
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