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A new EpwBaseWorkChain is constructed based on EpwCalculation. Relative files are also modified:

  • aiida entry points in pyproject.toml is updated, the top level key is also set to 'epw' from 'supercon'.
  • a new file 'base.py' is add containing EpwBaseWorkChain
  • the parts of the EpwWorkChain in epw.py which is previously related to EpwCalculation, including the define(), get_builder_from_protocol() and run_epw() are now adapted for the new EpwBaseWorkChain
  • a new protocol yaml is added in protocols/base.yaml, this is the protocol for new EpwBaseWorkChain
  • the corresponding epw part of the epw.yaml protocol is substituted by epw_base of the new WorkChain

A new EpwBaseWorkChain is constructed based on EpwCalculation.
Relative files are also modified:
- aiida entry points in pyproject.toml is updated, the top level key is also set to 'epw' from 'supercon'.
- a new file 'base.py' is add containing EpwBaseWorkChain
- the parts of the EpwWorkChain in epw.py which is previously related to EpwCalculation, including the define(), get_builder_from_protocol() and run_epw() are now adapted for the new EpwWorkChain
- a new protocol yaml is added in protocols/base.yaml, this is the protocol for new EpwBaseWorkChain
- the corresponding epw part of the epw.yaml protocol is substituted by epw_base of the new WorkChain
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