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Integrate LOBSTER apps into crystal toolkit - #459

Merged

minhsueh merged 42 commits into

materialsproject:mainfrom

JaGeo:add_lobster_integration

Aug 18, 2026

Merged

Integrate LOBSTER apps into crystal toolkit#459
minhsueh merged 42 commits into
materialsproject:mainfrom
JaGeo:add_lobster_integration

Commits on Apr 26, 2025
- add lobsterneighbors
  JaGeo
  committed
  277a4fc
- fix linting
  JaGeo
  committed
  c4da734
- [pre-commit.ci] auto fixes from pre-commit.com hooks
  pre-commit-ci[bot]
  committed
  4ef7c6e
- fix linting
  JaGeo
  committed
  fd403e9
- fix linting
  JaGeo
  committed
  14b60ae
- [pre-commit.ci] auto fixes from pre-commit.com hooks
  pre-commit-ci[bot]
  committed
  a3f0b24
- fix missing brackets
  JaGeo
  committed
  7eec6bf
- [pre-commit.ci] auto fixes from pre-commit.com hooks
  pre-commit-ci[bot]
  committed
  a97a0c6
Commits on May 8, 2025
- add cohp_dosplotter component
  naik-aakash
  committed
  958dbe9
- add example code to create app
  naik-aakash
  committed
  cb29602
Commits on May 9, 2025
- add lobsterpy in ci
  naik-aakash
  committed
  a77a857
- add lobserpy as optional dependency
  naik-aakash
  committed
  d26ea7e
- Merge pull request #3 from naik-aakash/add_lobster_integration
  JaGeo
  authored
  c5391d0
Commits on Oct 8, 2025
- Merge branch 'main' into add_lobster_integration
  tschaume
  authored
  32bdd4b
Commits on Feb 4, 2026
- Merge branch 'main' into add_lobster_integration
  JaGeo
  authored
  65f2120
Commits on Feb 6, 2026
- clean up cohp component and update example
  naik-aakash
  committed
  12e71e5
- Merge branch 'materialsproject:main' into add_lobster_integration
  naik-aakash
  authored
  7b67ac5
Commits on Feb 17, 2026
- Merge branch 'materialsproject:main' into add_lobster_integration
  naik-aakash
  authored
  9134da6
Commits on Feb 18, 2026
- Add lobsterenv analysis algorithm to localenv.py module and reuse in cohp.py module
  naik-aakash
  committed
  422376a
- add LOBSTER file upload module
  naik-aakash
  committed
  504483f
- add example localenv.py app
  naik-aakash
  committed
  6472b11
Commits on Feb 20, 2026
- adapt edge weight name dynamically
  naik-aakash
  committed
  f8a615c
Commits on Feb 23, 2026
- adapt to use kwargs
  naik-aakash
  committed
  154d073
Commits on Mar 5, 2026
- Merge branch 'main' into add_lobster_integration
  naik-aakash
  authored
  9cc98b3
Commits on Mar 11, 2026
- Merge branch 'main' into add_lobster_integration
  naik-aakash
  authored
  900b237
Commits on May 8, 2026
- Merge branch 'materialsproject:main' into add_lobster_integration
  naik-aakash
  authored
  2f7241f
- fix import
  naik-aakash
  committed
  788123f
- [pre-commit.ci] auto fixes from pre-commit.com hooks
  pre-commit-ci[bot]
  committed
  1f90b1d
Commits on May 14, 2026
- Merge branch 'materialsproject:main' into add_lobster_integration
  naik-aakash
  authored
  f25a16d
Commits on May 16, 2026
- Merge branch 'materialsproject:main' into add_lobster_integration
  naik-aakash
  authored
  a77a286
Commits on Jun 17, 2026
- Merge branch 'materialsproject:main' into add_lobster_integration
  naik-aakash
  authored
  ca226d9
Commits on Jul 17, 2026
- Merge branch 'materialsproject:main' into add_lobster_integration
  naik-aakash
  authored
  757dc7c
Commits on Aug 5, 2026
- address review comment and replace deprecated MoleculeGraph.with_empty_graph with MoleculeGraph.from_empty_graph
  naik-aakash
  committed
  4d26ac0
- address review comment and replace deprecated MoleculeGraph.with_empty_graph with MoleculeGraph.from_empty_graph
  naik-aakash
  committed
  184765d
Commits on Aug 6, 2026
- separate lobsterenv related functions in lobsterenv.py
  naik-aakash
  committed
  3971fb9
- address review comment - update dos trace name
  naik-aakash
  committed
  1fc57df
- cleanup localenv.py
  naik-aakash
  committed
  9f2774e
- add small tests
  naik-aakash
  committed
  5563598
- temp disable log assertion > do not know root cause
  naik-aakash
  committed
  8ac49a7
Commits on Aug 7, 2026
- try moving assertions in if block
  naik-aakash
  committed
  9b21602
Commits on Aug 13, 2026
- address review comment > delete _version, use Structure.from_dict
  naik-aakash
  committed
  0fb711b
- Merge branch 'materialsproject:main' into add_lobster_integration
  naik-aakash
  authored
  9ad6ad5

Commits

Commits on Apr 26, 2025

Commits on May 8, 2025

Commits on May 9, 2025

Commits on Oct 8, 2025

Commits on Feb 4, 2026

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Commits on Feb 17, 2026

Commits on Feb 18, 2026

Commits on Feb 20, 2026

Commits on Feb 23, 2026

Commits on Mar 5, 2026

Commits on Mar 11, 2026

Commits on May 8, 2026

Commits on May 14, 2026

Commits on May 16, 2026

Commits on Jun 17, 2026

Commits on Jul 17, 2026

Commits on Aug 5, 2026

Commits on Aug 6, 2026

Commits on Aug 7, 2026

Commits on Aug 13, 2026