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Version 1.0 release - #38

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nedtaylor merged 27 commits into
mainfrom
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Mar 3, 2025
Merged

nedtaylor merged 27 commits into
mainfrom
development

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fd9034 and others added 25 commits February 17, 2025 14:01
* 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

* Add example host structures

* Update tutorials

* Update learning scripts

* Fix unit tests

* Fix indentation

* Fix indentation
* Improve filespace

* Add example output files

* Fix links

* Fix filepaths
@nedtaylor nedtaylor added this to the Version 1 milestone Mar 3, 2025
@nedtaylor nedtaylor self-assigned this Mar 3, 2025

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github-pages — 1dca0625 Deployed Mar 3, 2025 by nedtaylor
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2 participants