Report energy in conformers_before_optimization.txt
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| # This workflow will triage pull requests and apply a label based on the | |
| # paths that are modified in the pull request. | |
| # See: https://github.com/actions/labeler/blob/main/README.md | |
| name: Labeler | |
| on: [pull_request] | |
| jobs: | |
| label: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/labeler@v2 | |
| with: | |
| repo-token: "${{ secrets.GITHUB_TOKEN }}" |