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Use external Package for FHI-aims IO interface #4260

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Merged
merged 19 commits into from
Aug 13, 2025
Merged

Use external Package for FHI-aims IO interface #4260

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adc3da4
Update FHI-aims io to use pyfhiaims
tpurcell90 Jan 4, 2025
0276932
Update si for file format changes
tpurcell90 Jan 4, 2025
6a357b8
update ref file with blank line in header
tpurcell90 Jan 5, 2025
4ce579c
Update for new parsers
tpurcell90 Jan 11, 2025
bf27afb
Replace where AimsParseError is located
tpurcell90 Jan 12, 2025
15fd77f
Add modified converters interface.
tpurcell90 Jan 14, 2025
2221a59
Update for pyfhiaims parsers
tpurcell90 Jan 16, 2025
244ceb3
Updates from pyfhiaims cleanups
tpurcell90 Jan 17, 2025
3ade6a1
Merge branch 'master' of https://github.com/materialsproject/pymatgen…
tpurcell90 Mar 10, 2025
35acc6a
update tests for new interface
tpurcell90 Mar 10, 2025
836002e
fix things for atomate2
tpurcell90 Mar 11, 2025
1ca7a59
modify pyproject.toml
tpurcell90 Mar 11, 2025
c2dccc7
Add importorskip line for pyfhiaims
tpurcell90 Mar 11, 2025
e502cf5
Remove FHI-aims test files
tpurcell90 Mar 11, 2025
3b6b93b
fix build errors
tpurcell90 Mar 11, 2025
46fb7c6
Add pymatgen-io-aims to the add on's page
tpurcell90 May 30, 2025
a3ac4c1
FHI-aims now in add on
tpurcell90 Jun 2, 2025
1b91e1b
Merge branch 'master' of https://github.com/materialsproject/pymatgen…
tpurcell90 Jun 23, 2025
f790f7e
Merge branch 'master' of https://github.com/materialsproject/pymatgen…
tpurcell90 Aug 13, 2025
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2 changes: 2 additions & 0 deletions docs/addons.md
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1 change: 0 additions & 1 deletion src/pymatgen/io/aims/__init__.py
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