Skip to content

[WIP] Fix icohpcollection #4481

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom
Draft
wants to merge 15 commits into
base: master
Choose a base branch
from
Draft

[WIP] Fix icohpcollection #4481

wants to merge 15 commits into from

Conversation

naik-aakash
Copy link
Contributor

@naik-aakash naik-aakash commented Aug 16, 2025 •
edited
Loading

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
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers

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

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

Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.
1 participant
@naik-aakash