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[WIP] Fix icohpcollection #4481

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[WIP] Fix icohpcollection #4481

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@naik-aakash naik-aakash commented Aug 16, 2025 •
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Bugs

  • serialization and deserialization of Icohpcollection fail for files with LCFO data
  • serialization and deserialization of Icohpcollection fails for non-spin polarized calcs
  • serialization and deserialization of CompleteCohp fail for files with LCFO data

This PR aims to address these issues

naik-aakash and others added 14 commits May 6, 2025 22:03
@naik-aakash
add custom from_dict method for proper initialization of attributes
828a047
@pre-commit-ci
pre-commit auto-fixes
1e70091
@naik-aakash
Merge branch 'materialsproject:master' into fix_icohpcollection
b35ee96
@naik-aakash
Merge branch 'materialsproject:master' into fix_icohpcollection
b5d6f31
@naik-aakash
add custom as_dict method for proper serialization
4754806
@naik-aakash
adapt existing test to check for serialization
fd13e10
@naik-aakash
Merge branch 'materialsproject:master' into fix_icohpcollection
db4b50a
@naik-aakash
Merge branch 'materialsproject:master' into fix_icohpcollection
d6a387b
@naik-aakash
Merge branch 'master' into fix_icohpcollection
56e3382
@naik-aakash
Merge branch 'materialsproject:master' into fix_icohpcollection
b13ee24
@naik-aakash
Merge branch 'materialsproject:master' into fix_icohpcollection
ac7d255
@naik-aakash
fix icohplist deserialization
16709bb
@naik-aakash
add test for nsp
b666bd1
@naik-aakash
fix LCFO files serialization
f019fc7
@naik-aakash naik-aakash marked this pull request as draft August 16, 2025 12:57
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@shyuep shyuep Awaiting requested review from shyuep shyuep is a code owner

@mkhorton mkhorton Awaiting requested review from mkhorton mkhorton is a code owner

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