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aiida_quantumespresso.utils.restart

aiida_quantumespresso.utils.restart#

Utility functions to return process builders ready to be submitted for restarting a Quantum ESPRESSO calculation.

Module Contents#

Functions#

get_builder_restart(node[, from_scratch, use_symlink])

Create a restart ProcessBuilder from a completed CalcJobNode.
aiida_quantumespresso.utils.restart.get_builder_restart(node, from_scratch=False, use_symlink=False)[source]#

Create a restart ProcessBuilder from a completed CalcJobNode.

The restart builder will be ready to be launched but of course one can further update the inputs before doing so. To launch the restart calculation, simply run or submit it like you would normally:

from aiida.engine import submit
builder = get_builder_restart(node)
submit(builder)
Parameters:

  • node – the CalcJobNode instance from which to create a restart builder

  • from_scratch – boolean, if True, will restart from scratch

  • use_symlink – boolean, if True, will symlink the parent folder instead of copying the contents

Returns:

a ProcessBuilder instance configured for a restart

Contents