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[WIP] Adding Mobility Screening Builders #393

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@acrutt acrutt commented Apr 13, 2022

Developing new builders that assist with screening materials for solid state mobility.

acrutt and others added 19 commits April 13, 2022 09:38
This was a demonstration
Another demo
New migration_graph builder from electrodes
Removed materials store and wi_entry as builder inputs. get wi from electrode doc.
changed field labels to match convention and added docstrings
added self to get_migration_graph call
added docstring and necessary import statements. reformatted with black.
also added test file for this builder
Fixed some formatting issues per last PR
Changed docstring format in methods
Add first draft of MigrationGraphBuilder
update task_doc query to account for integer "material_ids".
change "mg" field to "migration_graph"
updated test file to test a wider batch of battery_ids
using different hop_cutoff (combo method, limited to 1.1*max primitive unit cell length)
new migration_graph_2 builder with "combo" hop cutoff method
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acrutt commented Sep 13, 2022

This PR was split up/replaced by multiple smaller PRs

Create initial Document Model for MigrationGraph: #437
Mobility utils: #447
Create MigrationGraphBuilder: #468
Expand Migration Graph Doc: #459

@acrutt acrutt closed this Sep 13, 2022
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