Aims bug fixes #3466
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Aims bug fixes #3466
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Restore the use of an environment variable to set the aims species directory
1) Remove the filter for deciding if line is in a header or calc chunk Done since some lines appear in both 2) Remove stray call to an atoms object made from the atomate2 parsers Modify the AimsOutput test for Si to use phonon calc file and not a relaxation to check part 2
had an fstring but did not specify it was
Add myself and @ansobolev as authors
No need to retest everything, just the one functionality
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Summary
Minor updates to the aims interface that I discovered were necessary when adapting the FHI-aims atomate2 interface to use it.
Major changes:
Checklist
ruff.mypy.duecredit@due.dcitedecorators to reference relevant papers by DOI (example)