v0.12.0 (2022.10.23)

Enhancements

• add structure creators for ASE, GASP, PyXtal, AIRSS, CALYPSO, USPEX, and XtalOpt as well as documentation for creators.
• add simmate version command
• changelog and update guide added to documentation website
• add show-stats, delete-finished, and delete-all commands to workflow-engine
• add Cluster base class + commands that allow submitting a steady-state cluster via subprocesses or slurm
• add started_at, created_at, total_time, and queue_time columns to Calculation tables
• add exlcude_from_archives field to workflows to optionally delete files when compressing outputs to zip archives
• various improvements added for evolutionary search workflows, such as parameter optimization, new output files, and website views
• add Fingerprint database table and integrate it with Fingerprint validator
• support >2 element hull diargrams and complex chemical systems

Refactors

• optimize get_series method of relaxation.vasp.staged
• reorganize selectors module for evolutionary structure prediction

Fixes

• fix dynamic loading of toolkit structures from third-party databases
• fix race condition with workers and empty queues
• increases default query rate for state.result() to lessen database load