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disorderedmaterials / dissolve Public

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feat: drivenMD setup and testing#1971

Draft

Danbr4d wants to merge 14 commits intodevelopdisorderedmaterials/dissolve:developfrom

SANS-driven-MDdisorderedmaterials/dissolve:SANS-driven-MDCopy head branch name to clipboard

Conversation Commits14 (14)Checks Files changed

Draft

feat: drivenMD setup and testing#1971
Danbr4d wants to merge 14 commits intodevelopfrom
SANS-driven-MD

Commits

Commits on Feb 3, 2025

drivenMD initial set up
Danbr4d
committed
added drivenMD functionality
Danbr4d
committed
added gui file in
Danbr4d
committed
updated gui files
Danbr4d
committed
initial test of gradient calculation
Danbr4d
committed
reference data initial
Danbr4d
committed
added in calc of errors
Danbr4d
committed
translate coordinates
Danbr4d
committed
Investigations.

trisyoungs
authored and
Danbr4d
committed
fix calc of originalgr and debugging added in
Danbr4d
committed
added in reset and moved translate
Danbr4d
committed
change to translateCoordinates()
Danbr4d
committed
added incrementContentsVersion
Danbr4d
committed
rebase fix
Danbr4d
committed

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