Bugfix: handling of configurations and gradients #15
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| name: CI | |
| on: | |
| push: | |
| branches: | |
| - "main" | |
| pull_request: | |
| branches: | |
| - "main" | |
| workflow_dispatch: | |
| jobs: | |
| ci: | |
| name: CI | |
| uses: molssi-seamm/devops/.github/workflows/CI.yaml@main | |
| with: | |
| src : torchani_step |