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Check in splinerepfit#110

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vanderhe merged 1 commit intodftbplus:mainfrom
vanderhe:splineFittingTool
Feb 5, 2025
Merged

Check in splinerepfit#110
vanderhe merged 1 commit intodftbplus:mainfrom
vanderhe:splineFittingTool

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@vanderhe vanderhe commented Feb 3, 2025

Missing:

  • robustness improvements
  • regression testing

Closes #109.

Co-authored-by: Bálint Aradi <aradi@uni-bremen.de>
@vanderhe vanderhe merged commit 66c8c23 into dftbplus:main Feb 5, 2025
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@vanderhe vanderhe deleted the splineFittingTool branch February 5, 2025 13:16
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Add spline repulsive fitting tool

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