PhBaseWorkChain: Add a first draft for the protocols
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sphuber
previously approved these changes
May 5, 2022
| qpoints = orm.KpointsData() | ||
| qpoints.set_kpoints_mesh(qpoints_mesh) | ||
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| # pylint: disable=no-member |
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Where are these warnings coming from?
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I don't know, but:
************* Module aiida_quantumespresso.workflows.ph.base
src/aiida_quantumespresso/workflows/ph/base.py:81:8: E1101: Instance of 'ProcessBuilder' has no 'ph' member (no-member)
src/aiida_quantumespresso/workflows/ph/base.py:83:12: E1101: Instance of 'ProcessBuilder' has no 'ph' member (no-member)
src/aiida_quantumespresso/workflows/ph/base.py:84:8: E1101: Instance of 'ProcessBuilder' has no 'ph' member (no-member)
src/aiida_quantumespresso/workflows/ph/base.py:85:8: E1101: Instance of 'ProcessBuilder' has no 'ph' member (no-member)
src/aiida_quantumespresso/workflows/ph/base.py:87:12: E1101: Instance of 'ProcessBuilder' has no 'ph' member (no-member)
src/aiida_quantumespresso/workflows/ph/base.py:89:8: E1101: Instance of 'ProcessBuilder' has no 'ph' member (no-member)
Add a first draft for the `PhBaseWorkChain` protocols. These have not been tested rigorously, but can serve as an initial setup that can be easily adapted after using the `get_builder_from_protocol()` method. This is also necessary to allow higher-level work chains to develop protocols.
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@sphuber rebased and should be ready to go. Don't know about those pylint warnings, but I think we have them all over the place. |
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Add a first draft for the
PhBaseWorkChainprotocols. These have notbeen tested rigorously, but can serve as an initial setup that can be
easily adapted after using the
get_builder_from_protocol()method.This is also necessary to allow higher-level work chains to develop
protocols.