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Add support to LOBSTER >=5.0

enhancementA new feature or improvement to an existing oneA new feature or improvement to an existing one

ioInput/output functionalityInput/output functionality

lobsterLobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)

Status: Merged (completed).

materialsproject/pymatgennumber 4065

#4065 In materialsproject/pymatgen;

· by naik-aakash was closed on Oct 17, 2024

Improve type annotations for io.lobster.{lobsterenv/outputs}

lobsterLobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)

typesType all the thingsType all the things

Status: Merged (completed).

materialsproject/pymatgennumber 3887

#3887 In materialsproject/pymatgen;

· by DanielYang59 was closed on Aug 30, 2024

Simplify case handling in lobster.inputs

housekeepingMoving around or cleaning up old code/filesMoving around or cleaning up old code/files

ioInput/output functionalityInput/output functionality

lobsterLobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)

Status: Merged (completed).

materialsproject/pymatgennumber 3848

#3848 In materialsproject/pymatgen;

· by DanielYang59 was closed on Jun 8, 2024

Fix wrong error type in tests for io.vasp.sets

fixBug fix PRsBug fix PRs

lobsterLobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)

testsIssues with or changes to the pymatgen test suiteIssues with or changes to the pymatgen test suite

Status: Closed (abandoned).

materialsproject/pymatgennumber 3781

#3781 In materialsproject/pymatgen;

· by DanielYang59 was closed on Apr 24, 2024

Revert mistaken Cohp.has_antibnd_states_below_efermi rename

electronic structureElectronic structure functionality relatedElectronic structure functionality related

fixBug fix PRsBug fix PRs

lobsterLobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)

Status: Merged (completed).

materialsproject/pymatgennumber 3750

#3750 In materialsproject/pymatgen;

· by JaGeo was closed on Apr 12, 2024

Improve Bandoverlaps parser

fixBug fix PRsBug fix PRs

ioInput/output functionalityInput/output functionality

lobsterLobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)

Status: Merged (completed).

materialsproject/pymatgennumber 3689

#3689 In materialsproject/pymatgen;

· by naik-aakash was closed on Mar 15, 2024

LOBSTER IO improvements

enhancementA new feature or improvement to an existing oneA new feature or improvement to an existing one

ioInput/output functionalityInput/output functionality

lobsterLobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)

uxUser experienceUser experience

Status: Merged (completed).

materialsproject/pymatgennumber 3649

#3649 In materialsproject/pymatgen;

· by naik-aakash was closed on Feb 24, 2024

Fix Lobsterenv Bug

fixBug fix PRsBug fix PRs

ioInput/output functionalityInput/output functionality

lobsterLobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)

Status: Merged (completed).

materialsproject/pymatgennumber 3637

#3637 In materialsproject/pymatgen;

· by naik-aakash was closed on Feb 21, 2024

Lobster io improvements

apiApplication programming interfaceApplication programming interface

lobsterLobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)

Status: Merged (completed).

materialsproject/pymatgennumber 3627

#3627 In materialsproject/pymatgen;

· by naik-aakash was closed on Feb 15, 2024

Breaking Lobsterenv improvements

apiApplication programming interfaceApplication programming interface

breakingBreaking changeBreaking change

lobsterLobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)

Status: Merged (completed).

materialsproject/pymatgennumber 3624

#3624 In materialsproject/pymatgen;

· by naik-aakash was closed on Feb 18, 2024

Fix lobsterin dict inheritance and treat \t in lobsterins correctly

fixBug fix PRsBug fix PRs

ioInput/output functionalityInput/output functionality

lobsterLobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)

Status: Merged (completed).

materialsproject/pymatgennumber 3439

#3439 In materialsproject/pymatgen;

· by JaGeo was closed on Nov 2, 2023

This part might not be robust.

bug

ioInput/output functionalityInput/output functionality

lobsterLobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)

Status: Closed (completed).

#3438 In materialsproject/pymatgen;

· by RedStar-Iron was closed on Nov 2, 2023