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pnnl / isicle Public

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Continuous Integration / Deployment

Fix XTB single point optimization functionality #51

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Fix XTB single point optimization functionality

Fix XTB single point optimization functionality #51

Summary
Jobs
- Format
- Test_Linux
- Test_Mac
- Deploy
Run details
- Usage
- Workflow file

Usage Workflow file

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1 warning

Mamba support is still experimental and can result in differently solved environments!

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