Fixes to gcp_gradient and WrapTheory pc_gradient#492
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allenjbTX
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May 8, 2026
allenjbTX
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- Ensure 'gcp_gradient' file is made by removing existing 'gradient' file created by xTBTheory
- Update WrapTheory to optionally return pc_gradient when Grad and PC flags are set
…file created by xTBTheory - Update WrapTheory to optionally return pc_gradient when Grad and PC flags are set
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well spotted, thanks! |
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