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feat: drivenMD setup and testing#1971

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Danbr4d wants to merge 14 commits intodevelopdisorderedmaterials/dissolve:developfrom SANS-driven-MDdisorderedmaterials/dissolve:SANS-driven-MDCopy head branch name to clipboard

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Commits on Feb 3, 2025

• drivenMD initial set up

  Danbr4d

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  33607ff

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• added drivenMD functionality

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  f9f126f

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• added gui file in

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  c0d6851

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• updated gui files

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  4db5d77

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• initial test of gradient calculation

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  6bb9c6a

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• reference data initial

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  1953fd8

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• added in calc of errors

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  4487b31

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• translate coordinates

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  9dbef8e

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• Investigations.

  

  trisyoungs

  authored and

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  026e534

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• fix calc of originalgr and debugging added in

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  765d612

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• added in reset and moved translate

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  9886b11

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• change to translateCoordinates()

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  e0f8274

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• added incrementContentsVersion

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  c3199f6

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• rebase fix

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  b6d4461

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