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Description

This PR implements the to_tasks method for theTorsiondriveDataset which creates a set of equivalent QCEngine tasks which can be run locally rather than via QCFractal.

Todos

Notable points that this PR has either accomplished or will accomplish.

  • TODO 1

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  • Question1

Status

  • Ready to go

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codecov bot commented Jul 24, 2023

Codecov Report

Merging #224 (836dbee) into main (9c9f449) will increase coverage by 0.01%.
The diff coverage is 100.00%.

❗ Current head 836dbee differs from pull request most recent head 8ac7080. Consider uploading reports for the commit 8ac7080 to get more accurate results

Additional details and impacted files

jthorton added 2 commits July 24, 2023 17:09
# Conflicts:
#	openff/qcsubmit/common_structures.py
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2 participants