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Split torsion drive single-points into separate tasks#176

Merged
SimonBoothroyd merged 4 commits intosplit_specfrom
submit-td-sp-as-task
May 20, 2022
Merged

Split torsion drive single-points into separate tasks#176
SimonBoothroyd merged 4 commits intosplit_specfrom
submit-td-sp-as-task

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@SimonBoothroyd SimonBoothroyd commented May 19, 2022

Description

This PR alters PR #167 such that torsion drive optimisation and single point evaluation caching is handled by celery directly.

Status

  • Ready to go

@SimonBoothroyd SimonBoothroyd marked this pull request as ready for review May 20, 2022 11:45
Comment thread openff/bespokefit/executor/services/qcgenerator/cache.py Outdated
Comment thread openff/bespokefit/executor/services/qcgenerator/cache.py
Comment thread openff/bespokefit/executor/services/qcgenerator/cache.py Outdated
@SimonBoothroyd SimonBoothroyd merged commit b7999db into split_spec May 20, 2022
@SimonBoothroyd SimonBoothroyd deleted the submit-td-sp-as-task branch May 20, 2022 13:44
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2 participants