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New Manybody Implementation#879

Merged
bennybp merged 9 commits into
mainfrom
new_mb
Jan 23, 2025
Merged

New Manybody Implementation#879
bennybp merged 9 commits into
mainfrom
new_mb

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@bennybp

@bennybp bennybp commented Jan 14, 2025

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Description

This replaces the old manybody code with QCManyBody.

This basically completely rewrites the manybody service. The new implementation has many more features - see the QCManyBody package for details.

Warning - I do not have a migration for old data. I don't believe anyone really ran the old manybody code, and I don't particularly trust the results. The database schema migration checks for existing calculations and will not delete records if they exist.

Status

  • Code base linted
  • Ready to go

@bennybp bennybp merged commit 830a31f into main Jan 23, 2025
@bennybp bennybp deleted the new_mb branch January 23, 2025 14:52
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