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Add ability to return multiple properties

enhancementNew feature or requestNew feature or request

Status: Open.

#29 In ElliottKasoar/abcd;

· ElliottKasoar opened on Apr 26, 2024

· 

Initial Release

Replace argparse with Click for CLI

enhancementNew feature or requestNew feature or request

Status: Open.

#27 In ElliottKasoar/abcd;

· ElliottKasoar opened on Jan 24, 2024

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Initial Release

Investigate rollback

enhancementNew feature or requestNew feature or request

Status: Open.

#26 In ElliottKasoar/abcd;

· ElliottKasoar opened on Jan 22, 2024

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Initial Release

Add ability to store trajectories

enhancementNew feature or requestNew feature or request

Status: Open.

#25 In ElliottKasoar/abcd;

· ElliottKasoar opened on Jan 22, 2024

· 

Initial Release

Add unit/integration tests for CLI

testing

Status: Open.

#24 In ElliottKasoar/abcd;

· ElliottKasoar opened on Jan 22, 2024

· 

Initial Release

Allow custom scripts?

Status: Open.

#23 In ElliottKasoar/abcd;

· ElliottKasoar opened on Jan 15, 2024

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Initial Release

Investigate query performance

enhancementNew feature or requestNew feature or request

Status: Open.

#22 In ElliottKasoar/abcd;

· ElliottKasoar opened on Jan 15, 2024

· 

Initial Release

Add documentation generation to Actions

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#20 In ElliottKasoar/abcd;

· ElliottKasoar opened on Sep 5, 2023

· 

Initial Release

Properties CSV reader fails for non-standard characters

bugSomething isn't workingSomething isn't working

Status: Open.

#18 In ElliottKasoar/abcd;

· ElliottKasoar opened on Sep 4, 2023

· 

Initial Release

Remove unused legacy code

Status: Open.

#17 In ElliottKasoar/abcd;

· ElliottKasoar opened on Sep 4, 2023

Add metadata required for PSDI

enhancementNew feature or requestNew feature or request

Status: Open.

#16 In ElliottKasoar/abcd;

· ElliottKasoar opened on Sep 4, 2023

· 

Initial Release

Add integration with AiiDA

enhancementNew feature or requestNew feature or request

Status: Open.

#15 In ElliottKasoar/abcd;

· ElliottKasoar opened on Sep 4, 2023