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aiidateam / aiida-quantumespresso Public

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`PwBaseWorkChain`: improve restart from `parent_folder`#722

Merged

mbercx merged 12 commits intoaiidateam:developaiidateam/aiida-quantumespresso:developfrom mbercx:fix/721/base-restartmbercx/aiida-quantumespresso:fix/721/base-restartCopy head branch name to clipboard

Sep 21, 2021

+279-92

Conversation Commits12 (12)Checks Files changed

Commits

Commits on Sep 21, 2021

PwBaseWorkChain: improve restart from parent_folder
mbercx
committed
Add validator for the restart parameters
mbercx
committed
Replace restart_calc logic with set_restart_type
mbercx
committed
Apply reviewer suggestions
mbercx
committed
Switch to raising errors for incorrect nscf or bands restart inputs
mbercx
committed
Fix PwBaseWorkChain tests
mbercx
committed
Add tests for restart validation
mbercx
committed
apply excellent reviewer suggestions
mbercx
committed
clean up the tests a bit from my silly comments
mbercx
committed
Raise warning instead of error for nscf/bands and restart_mode==from_scratch
mbercx
committed
And then fix the test, of course
mbercx
committed
Merge branch 'develop' into fix/721/base-restart
mbercx
authored

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