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aiidateam / aiida-wannier90

AiiDA plugin for the Wannier90 code
https://aiida-wannier90.readthedocs.io
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Parser key names improvements #78

Closed normarivano closed 4 years ago

normarivano commented 4 years ago

Here we apply the changes to the key names of the parser as discussed in issue #1. This fixes #1 .

qiaojunfeng commented 4 years ago

For me no problem with the commits. I just add one commit to fix the unit tests. The pytest failed because the order of the output keywords in the yaml files has changed. I guess the yaml files are sorted by alphabetic order, so after we change the keyword from wannier_function to wf_ids, the wf_ids is placed before wf_spreads, while previously wannier_function is placed after spread.