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Add FHI-aims setup instructions to docs - #3553
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Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01Dnd4tTW68q7UCigEQtcNm5
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Summary
Adds an FHI-aims section to the calculator setup page (
docs/install/codes.md), placed alphabetically after EMT.It documents the three settings defined in
src/quacc/settings.py:AIMS_BIN— path to the FHI-aims executable (defaultaims.x)AIMS_PARALLEL_CMD— parallelization prefix, without the executableAIMS_SPECIES_DEFAULTS— path to a species-defaults set such asdefaults_2020; the recipes appendlight/intermediate/tight/really_tightvia thespecies_defaultskwarg, so that subdirectory should not be includedIncludes an example
~/.bashrcblock using theQUACC_-prefixed env vars, matching the style of the other code sections.Also loosens the
species_defaultstype hint instatic_jobandrelax_job(src/quacc/recipes/aims/core.py) from aLiteraltostr, since any species-defaults subdirectory name is valid. The docstrings now list light/intermediate/tight/really_tight as common options rather than the only ones.https://claude.ai/code/session_01Dnd4tTW68q7UCigEQtcNm5
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