35 proposal make failed generate output structures by nedtaylor · Pull Request #36 · ExeQuantCode/RAFFLE

Update ignore list

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Swap order of placement list

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Fix shuffle for both dimensions

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committed

Improve error handling

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Add procedures to remove atoms

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committed

Change void placement grid handling

nedtaylor

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Update generate error handling and structure output

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Add calculator option

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35 proposal make failed generate output structures#36

35 proposal make failed generate output structures#36
nedtaylor merged 14 commits intodevelopmentfrom
35-proposal-make-failed-generate-output-structures

Commits on Feb 28, 2025

Update ignore list

Swap order of placement list

Fix shuffle for both dimensions

Improve error handling

Add procedures to remove atoms

Change void placement grid handling

Update generate error handling and structure output

Add calculator option

Commits on Mar 2, 2025

Add example host structures

Update tutorials

Update learning scripts

Fix unit tests

Fix indentation

Fix indentation

35 proposal make failed generate output structures#36nedtaylor merged 14 commits intodevelopmentExeQuantCode/RAFFLE:developmentfrom 35-proposal-make-failed-generate-output-structuresExeQuantCode/RAFFLE:35-proposal-make-failed-generate-output-structuresCopy head branch name to clipboard

Commits

Commits on Feb 28, 2025

Commits on Mar 2, 2025

35 proposal make failed generate output structures#36
nedtaylor merged 14 commits intodevelopmentfrom
35-proposal-make-failed-generate-output-structures