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[WIP] Update LOBSTER output files list #1044

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[WIP] Update LOBSTER output files list #1044

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51a6a71
update output files list
naik-aakash Nov 5, 2024
2c4caad
add missing ,
naik-aakash Nov 5, 2024
ccb7a17
Merge branch 'materialsproject:main' into update_lobster_outputs
naik-aakash Nov 17, 2024
3e6dbed
address reveiw comments
naik-aakash Nov 17, 2024
47f486d
Merge branch 'materialsproject:main' into update_lobster_outputs
naik-aakash Dec 7, 2024
387c048
Merge branch 'materialsproject:main' into update_lobster_outputs
naik-aakash Dec 22, 2024
5a4c9d5
Merge branch 'materialsproject:main' into update_lobster_outputs
naik-aakash Mar 13, 2025
92ac242
Merge branch 'materialsproject:main' into update_lobster_outputs
naik-aakash Apr 3, 2025
2f0f2f8
Merge branch 'materialsproject:main' into update_lobster_outputs
naik-aakash Apr 24, 2025
3e47624
Merge branch 'materialsproject:main' into update_lobster_outputs
naik-aakash May 23, 2025
b138831
Merge branch 'materialsproject:main' into update_lobster_outputs
naik-aakash Jun 12, 2025
6ec7bdc
Merge branch 'materialsproject:main' into update_lobster_outputs
naik-aakash Aug 27, 2025
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21 changes: 18 additions & 3 deletions src/atomate2/lobster/files.py
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Original file line number Diff line number Diff line change
Expand Up @@ -13,22 +13,37 @@
from pathlib import Path

LOBSTEROUTPUT_FILES = [
"lobsterout",
"BWDF.lobster",
"BWDFCOHP.lobster",
"CHARGE.lobster",
"CHARGE.LCFO.lobster",
"COBICAR.lobster",
"COBICAR.LCFO.lobster",
"COHPCAR.lobster",
"COHPCAR.LCFO.lobster",
"COOPCAR.lobster",
"DOSCAR.lobster",
"DOSCAR.LCFO.lobster",
"DOSCAR.LSO.lobster",
"GROSSPOP.lobster",
"GROSSPOP.LCFO.lobster",
"ICOBILIST.lobster",
"ICOBILIST.LCFO.lobster",
"ICOHPLIST.lobster",
"ICOHPLIST.LCFO.lobster",
"ICOOPLIST.lobster",
"IMOFELIST.lobster",
"LCFO_Fragments.lobster",
"lobsterout",
"lobster.out",
"projectionData.lobster",
"POLARIZATION.lobster",
"POSCAR.lobster",
"POSCAR.lobster.vasp",
"MadelungEnergies.lobster",
"MOFECAR.lobster",
"SitePotentials.lobster",
"bandOverlaps.lobster",
"ICOBILIST.lobster",
"COBICAR.lobster",
]

VASP_OUTPUT_FILES = [
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