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Merge pull request #30 from molssi-seamm/dev
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Added standard energy and gradients to results
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seamm authored May 23, 2024
2 parents 5b7f4b2 + 6bf811b commit 17b9439
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1 change: 1 addition & 0 deletions devtools/conda-envs/test_env.yaml
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Expand Up @@ -13,6 +13,7 @@ dependencies:
- optking
- scipy
- seamm
- seamm-installer
- tabulate

# Testing
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