CHANGELOG.md

Changelog

v0.36.9 (2022-10-05)

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Merged pull requests:

• Fix thermo key in summary #554 (munrojm)

v0.36.8 (2022-10-04)

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Merged pull requests:

• Ensure proper treatment of static collections #553 (munrojm)

v0.36.7 (2022-10-03)

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Merged pull requests:

• Enable potcar single validation in task doc #552 (munrojm)

v0.36.6 (2022-09-29)

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Merged pull requests:

• [WIP] MGDoc typing change #543 (hmlli)

v0.36.5 (2022-09-29)

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Merged pull requests:

• Properly validate build_date #550 (munrojm)

v0.36.4 (2022-09-27)

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Merged pull requests:

• Ensure proper de-serialization of orig_inputs data #549 (munrojm)

v0.36.3 (2022-09-23)

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Merged pull requests:

• Fix database_IDs field in summary #545 (munrojm)

v0.36.2 (2022-09-23)

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Merged pull requests:

• Add external database IDs to summary #544 (munrojm)
• Revert "Add entries field to materials document model" #539 (munrojm)
• Add entries field to materials document model #538 (munrojm)

v0.36.1 (2022-09-13)

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Merged pull requests:

• Remove debugging print statement #529 (acrutt)

v0.36.0 (2022-09-10)

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Merged pull requests:

• Task API endpoint enhancement #531 (munrojm)

v0.35.3 (2022-09-09)

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Merged pull requests:

• BSON made optional in emmet-core #530 (munrojm)

v0.35.2 (2022-09-07)

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Merged pull requests:

• Add chunk size to Structure Group Builder #528 (acrutt)

v0.35.1 (2022-09-01)

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Merged pull requests:

• Remove unused maggma import in ChgcarDataDoc module #523 (munrojm)

v0.35.0 (2022-09-01)

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Merged pull requests:

• Make robocrys and pmg addon packages optional #522 (munrojm)

v0.34.15 (2022-09-01)

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Merged pull requests:

• Remove get_summary_dict() from InsertionElectrodeDoc #520 (acrutt)

v0.34.14 (2022-08-30)

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Merged pull requests:

• Ensure spglib<2.0.0 #521 (munrojm)

v0.34.13 (2022-08-29)

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Merged pull requests:

• Ignore dielectric calculations in potcar hash validation #519 (munrojm)

v0.34.12 (2022-08-29)

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Merged pull requests:

• Pin pydantic in emmet-core #515 (munrojm)

v0.34.11 (2022-08-26)

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Merged pull requests:

• Migration Graph Builder bug fix #514 (acrutt)
• InsertionElectrodeDoc material_id fix #510 (acrutt)

v0.34.10 (2022-08-26)

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Merged pull requests:

• Update materials and summary hints on composition_reduced #513 (munrojm)

v0.34.9 (2022-08-25)

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Merged pull requests:

• Add chunk size to thermo #508 (munrojm)

v0.34.8 (2022-08-15)

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Merged pull requests:

• Fix spin isnan detection for density of states processing #503 (munrojm)

v0.34.7 (2022-08-12)

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Merged pull requests:

• StructureGroupDoc Pulling Correct Material Id #500 (kim-jiyoon)

v0.34.6 (2022-08-11)

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Merged pull requests:

• Expand use of list query parameters for endpoint keys #499 (munrojm)

v0.34.5 (2022-08-10)

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Merged pull requests:

• MGDoc instance method get_distinct_hop_sites #498 (hmlli)

v0.34.4 (2022-08-08)

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Merged pull requests:

• StructureGroupBuilder and StructureGroupDoc minor fixes #494 (kim-jiyoon)

v0.34.3 (2022-08-03)

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Merged pull requests:

• Mute thermo compatibility printing #493 (munrojm)

v0.34.2 (2022-08-03)

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Merged pull requests:

• [WIP] Updated StructureGroupDoc #491 (kim-jiyoon)

v0.34.1 (2022-08-02)

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Merged pull requests:

• Fix summary to work with new thermo doc #492 (munrojm)

v0.34.0 (2022-08-01)

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Merged pull requests:

• Add Migration Graph Builder #468 (acrutt)

v0.33.2 (2022-08-01)

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Merged pull requests:

• Fix thermo type to work with s3 folders #490 (munrojm)

v0.33.1 (2022-07-28)

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Merged pull requests:

• [WIP] add supercell fields to MigrationGraphDoc #459 (hmlli)

v0.33.0 (2022-07-28)

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Fixed bugs:

• Memory errors for some sorting requests #433

Closed issues:

• Usability: material_id could be stored in entry.data alongside task_id #369

Merged pull requests:

• Allow ThermoBuilder to build with multiple compatibility schemes #486 (munrojm)

v0.32.9 (2022-07-27)

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Merged pull requests:

• Permit electrodes with non-TM redox active species #484 (acrutt)
• Permitting Electrodes with Extractable Ions #483 (acrutt)
• Update Redox Elements #482 (acrutt)

v0.32.8 (2022-07-27)

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Merged pull requests:

• Fix for incorrect collection name, require db_suffix to be set #485 (mkhorton)

v0.32.7 (2022-07-26)

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Merged pull requests:

• Add timeout to MAPISettings class and pass to API resources #481 (munrojm)

v0.32.6 (2022-07-25)

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Merged pull requests:

• Remove matminer as a dependency #480 (mkhorton)

v0.32.5 (2022-07-25)

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Merged pull requests:

• Limit run types in thermo builder #479 (munrojm)

v0.32.4 (2022-07-23)

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Merged pull requests:

• Update absorption.py #471 (yang-ruoxi)

v0.32.3 (2022-07-23)

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Merged pull requests:

• Unpin pymatgen-analysis-alloys dependency #474 (mkhorton)

v0.32.2 (2022-07-22)

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Merged pull requests:

• Bump pmg analysis alloys in setup #473 (munrojm)

v0.32.1 (2022-07-21)

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Merged pull requests:

• Revert elasticity and chemenv data fields in SummaryDoc #470 (munrojm)

v0.32.0 (2022-07-21)

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Merged pull requests:

• Fully incorporate new mixing scheme into the ThermoBuilder #467 (munrojm)

v0.31.2 (2022-07-21)

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Merged pull requests:

• Bump pymatgen-analysis-alloys #469 (mkhorton)

v0.31.1 (2022-07-19)

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Merged pull requests:

• Incorporate new mixing scheme into thermo builder #466 (munrojm)

v0.31.0 (2022-07-19)

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Merged pull requests:

• Update for Alloys API #465 (mkhorton)

v0.30.9 (2022-07-15)

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Merged pull requests:

• Warn for POTCAR hash issues and NSCF calculations #463 (munrojm)

v0.30.8 (2022-07-14)

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Merged pull requests:

• Validate line-mode with uniform input set #462 (munrojm)
• Alloys integration #364 (mkhorton)

v0.30.7 (2022-07-14)

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Merged pull requests:

• Add try except to valid input set generation #461 (munrojm)

v0.30.6 (2022-07-14)

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Merged pull requests:

• Make sure input sets in validation builder get additional args #460 (munrojm)

v0.30.5 (2022-07-13)

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Merged pull requests:

• Speed up TaskValidation #458 (munrojm)

v0.30.4 (2022-07-13)

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Merged pull requests:

• Validation bugfix #457 (munrojm)

v0.30.3 (2022-07-13)

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Merged pull requests:

• Build POTCAR hash cache in validation builder #456 (munrojm)

v0.30.2 (2022-07-12)

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Merged pull requests:

• Change structure quality scores for materials builder #455 (munrojm)

v0.30.1 (2022-07-12)

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Merged pull requests:

• Fix handling deformation tasks in materials builder #453 (munrojm)

v0.30.0 (2022-07-12)

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Merged pull requests:

• Migrationgraphdoc #437 (hmlli)

v0.29.5 (2022-07-12)

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Merged pull requests:

• Validation fixes #454 (munrojm)

v0.29.4 (2022-07-08)

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Merged pull requests:

• Properly set potcar dir in validation #450 (munrojm)

v0.29.3 (2022-07-07)

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Merged pull requests:

• Fix builder settings #449 (munrojm)

v0.29.2 (2022-07-07)

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Merged pull requests:

• Add mobility utility functions #447 (acrutt)

v0.29.1 (2022-07-07)

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Merged pull requests:

• Materials builder scan changes #448 (munrojm)

v0.29.0 (2022-07-06)

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Merged pull requests:

• Add optic absorption builder #425 (yang-ruoxi)

v0.28.4 (2022-06-27)

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Merged pull requests:

• Ensure electrode groups only pull non-deprecated materials #443 (munrojm)

v0.28.3 (2022-06-27)

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Merged pull requests:

• Add strip_structures to Insertion Electrode Doc and Builder #439 (acrutt)

v0.28.2 (2022-06-10)

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Merged pull requests:

• Add back legacy elasticity model #435 (munrojm)

v0.28.1 (2022-06-08)

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Merged pull requests:

• Better handle formula and element issues #434 (munrojm)

v0.28.0 (2022-06-07)

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Merged pull requests:

• Elasticity doc and builder #326 (mjwen)

v0.27.8 (2022-06-07)

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Merged pull requests:

• Bump maggma #432 (munrojm)

v0.27.7 (2022-06-06)

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Merged pull requests:

• Handle element and formula processing errors #431 (munrojm)

v0.27.6 (2022-05-31)

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Merged pull requests:

• Fix facet memory issue with synthesis aggregation pipeline #430 (munrojm)
• Update the description for chemsys_permutations #424 (acrutt)

v0.27.5 (2022-05-24)

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Merged pull requests:

• Rename molecules_old to molecules_jcesr #423 (munrojm)

v0.27.4 (2022-05-20)

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Merged pull requests:

• Allow tags to be None in validation #419 (munrojm)

v0.27.3 (2022-05-19)

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Merged pull requests:

• Fix tags field in task document #418 (munrojm)

v0.27.2 (2022-05-13)

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Merged pull requests:

• Fix calcs_reversed and output structure #417 (munrojm)

v0.27.1 (2022-05-13)

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Merged pull requests:

• Fix validation projection #416 (munrojm)

v0.27.0 (2022-05-12)

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Merged pull requests:

• Add quantities associated with get_decomp_and_phase_separation_energy #408 (mkhorton)

v0.26.3 (2022-05-11)

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Merged pull requests:

• Take absolute value for magnetic moment validation #415 (munrojm)

v0.26.2 (2022-05-11)

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Merged pull requests:

• Rename old molecules module #414 (munrojm)

v0.26.1 (2022-05-05)

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Closed issues:

• Rename Status enum for molecule tasks #412
• Deprecation rule for unphysical magnetic moments #410
• Update emmet-builders requirements.txt #329

Merged pull requests:

• Single atom fix #413 (espottesmith)

v0.26.0 (2022-05-05)

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Merged pull requests:

• Updated deprecation rules, chemenv API endpoint and data, and entries sub-url #411 (munrojm)

v0.25.0 (2022-05-05)

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Merged pull requests:

• [WIP] New data models and builders for molecules #334 (espottesmith)

v0.24.5 (2022-04-26)

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Merged pull requests:

• Switch to using the full MaterialsDoc in the API #404 (munrojm)

v0.24.4 (2022-04-26)

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Merged pull requests:

• Only run doc build after tests pass #401 (munrojm)

v0.24.3 (2022-04-25)

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Merged pull requests:

• Support R2SCAN, SCAN and PBESol tasks in the new build system #236 (rkingsbury)

v0.24.2 (2022-04-21)

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Merged pull requests:

• Bump maggma to fix key endpoint projection issues #398 (munrojm)

v0.24.1 (2022-04-20)

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Merged pull requests:

• Add projection field for charge densities #397 (munrojm)

v0.24.0 (2022-04-19)

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Merged pull requests:

• API S3 object endpoint changes #396 (munrojm)

v0.23.0 (2022-04-14)

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Closed issues:

• Set header to allow for load-testing via continuous integration to bypass CF rate limiting #380

Merged pull requests:

• Core model and operator improvements, overhaul of pagination params #368 (munrojm)

v0.22.0 (2022-04-13)

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Merged pull requests:

• ChemEnv integration #379 (JaGeo)

v0.21.27 (2022-04-08)

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Merged pull requests:

• Fix material sorting post-process #391 (munrojm)
• Incorrect parameters for hybrid functionals #389 (nwinner)

v0.21.26 (2022-04-07)

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Merged pull requests:

• Add `electronic_steps' to trajectory endpoint and fix structure frame population #390 (munrojm)

v0.21.25 (2022-04-07)

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Merged pull requests:

• Fix structure key handling in trajectory endpoint #388 (munrojm)

v0.21.24 (2022-04-06)

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Merged pull requests:

• Handle trajectory and element dict and value errors #387 (munrojm)

v0.21.23 (2022-04-06)

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Merged pull requests:

• General store post_process bug fix #386 (munrojm)

v0.21.22 (2022-04-06)

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Merged pull requests:

• Enhance post-processing to avoid overwrite issues #385 (munrojm)

v0.21.21 (2022-03-25)

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Merged pull requests:

• Trajectory endpoint fix #382 (munrojm)

v0.21.20 (2022-02-23)

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Merged pull requests:

• Return proper error response in autocomplete endpoint #373 (munrojm)

v0.21.19 (2022-01-28)

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Merged pull requests:

• Fix task doc composition validation issue in API #363 (munrojm)

v0.21.18 (2022-01-21)

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Merged pull requests:

• Battery formula patch + pydantic fix #356 (munrojm)

v0.21.17 (2022-01-20)

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Merged pull requests:

• Electrodes model fix #355 (munrojm)

v0.21.16 (2022-01-20)

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Merged pull requests:

• Remove version req in setup #354 (munrojm)
• Fix setup for workflow #353 (munrojm)

v0.21.14 (2022-01-19)

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v0.21.15 (2022-01-19)

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Merged pull requests:

• Fix release workflow #352 (munrojm)

v0.21.13 (2022-01-19)

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Merged pull requests:

• Revert nesting _verison.py #351 (munrojm)

v0.21.12 (2022-01-19)

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Merged pull requests:

• Revert to get_distribution in init #349 (munrojm)

v0.21.10 (2022-01-19)

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v0.21.11 (2022-01-19)

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Merged pull requests:

• Move _version.py further into package to fix import issues #348 (munrojm)

v0.21.9 (2022-01-19)

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Merged pull requests:

• Git stash added to docs step #347 (munrojm)

v0.21.7 (2022-01-19)

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v0.21.8 (2022-01-19)

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Merged pull requests:

• Git pull added to docs #346 (munrojm)

v0.21.6 (2022-01-19)

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Merged pull requests:

• Fix git pull command in workflow #345 (munrojm)

v0.21.5 (2022-01-19)

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Merged pull requests:

• Git pull to sync between namespace steps #344 (munrojm)

v0.21.4 (2022-01-19)

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Merged pull requests:

• Version file generation pushed into namespace packages #343 (munrojm)

v0.21.3 (2022-01-15)

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Merged pull requests:

• Revert version update to release workflow with conditionals #340 (munrojm)

v0.21.2 (2022-01-15)

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Merged pull requests:

• Alter commit message in actions #339 (munrojm)
• Fix version push in actions #338 (munrojm)

v0.21.1 (2022-01-15)

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Merged pull requests:

• Alter how version is determined #337 (munrojm)

v0.21.0 (2022-01-13)

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Merged pull requests:

• Chemsys, electrode, provenance, and robocrys changes #336 (munrojm)
• Allow for parsing of material docs without GGA/GGA+U (i.e. without corrections) #335 (arosen93)

v0.20.3 (2022-01-07)

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Merged pull requests:

• Substrates patch #332 (munrojm)

v0.20.2 (2022-01-07)

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Merged pull requests:

• Bump min maggma version #330 (munrojm)

v0.20.1 (2022-01-06)

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Merged pull requests:

• Add dockerfile for emmet api #328 (munrojm)

v0.20.0 (2022-01-06)

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Closed issues:

• Elastic builder #245

Merged pull requests:

• Emmet API package #327 (munrojm)

v0.19.1 (2021-12-21)

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Merged pull requests:

• Electrode host structure bug fix #323 (munrojm)

v0.19.0 (2021-12-20)

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Merged pull requests:

• Electrode builder updates #322 (munrojm)

v0.18.0 (2021-11-24)

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Merged pull requests:

• General builder updates #317 (munrojm)

v0.17.0 (2021-11-17)

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Merged pull requests:

• Update emmet meta #313 (munrojm)

v0.16.0 (2021-11-13)

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Merged pull requests:

• Initial commit of similarity builder #310 (munrojm)

v0.15.16 (2021-11-12)

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Merged pull requests:

• Fix default phase diagram value #309 (munrojm)

v0.15.15 (2021-11-12)

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Merged pull requests:

• Remove store query for phase diagram data #308 (munrojm)

v0.15.14 (2021-11-11)

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Merged pull requests:

• Add element number cap to phase diagram generation in thermo #307 (munrojm)

v0.15.13 (2021-11-09)

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Merged pull requests:

• Remove summary sub docs to fix magnetism and polar data #306 (munrojm)

v0.15.12 (2021-11-08)

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Merged pull requests:

• Include charge_density in summary has_props #305 (munrojm)

v0.15.11 (2021-11-02)

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Merged pull requests:

• Final polar builder updates #303 (munrojm)
• Remove chunking methods from test coverage for materials and thermo #302 (munrojm)

v0.15.10 (2021-11-01)

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Merged pull requests:

• Patch fix correct tensor variable in dielectric #301 (munrojm)

v0.15.9 (2021-11-01)

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Merged pull requests:

• Ensure DFPT tasks in polar builders #300 (munrojm)

v0.15.8 (2021-10-31)

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Merged pull requests:

• Remove output structure from polar builders #298 (munrojm)

v0.15.7 (2021-10-29)

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Merged pull requests:

• Convert structure inside bonds builder #297 (munrojm)

v0.15.6 (2021-10-29)

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Merged pull requests:

• Reference proper structure in polar builders #296 (munrojm)

v0.15.5 (2021-10-28)

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Merged pull requests:

• Fix piezo model #295 (munrojm)

v0.15.4 (2021-10-27)

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Merged pull requests:

• Fix grouper bug #294 (munrojm)

v0.15.3 (2021-10-27)

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Merged pull requests:

• Structure grouper chemsys chunk fix #292 (munrojm)

v0.15.2 (2021-10-25)

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Merged pull requests:

• Chunk with chemsys in structure group builder #289 (munrojm)

v0.15.1 (2021-10-25)

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Merged pull requests:

• Fix electrode chunking #288 (munrojm)

v0.15.0 (2021-10-22)

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Merged pull requests:

• Magnetism builder updates #286 (munrojm)

v0.14.6 (2021-10-21)

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Merged pull requests:

• Builder chunking fixes #287 (munrojm)

v0.14.5 (2021-10-15)

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Merged pull requests:

• Optimize phase diagram building in the thermo builder #283 (munrojm)

v0.14.4 (2021-10-14)

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Merged pull requests:

• thermo builder bugs #282 (acrutt)

v0.14.3 (2021-10-13)

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Merged pull requests:

• ThermoDoc.from_entries() energy fix #281 (acrutt)

v0.14.2 (2021-10-12)

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Merged pull requests:

• ComputedStructureEntry type consistency #279 (acrutt)

v0.14.1 (2021-10-12)

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Merged pull requests:

• Fix phase diagram ensure index #280 (munrojm)

v0.14.0 (2021-10-11)

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Merged pull requests:

• Update dielectric, piezoelectric and thermo builders #278 (munrojm)

v0.13.3 (2021-09-28)

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Merged pull requests:

• Summary additions and fixes #276 (munrojm)

v0.13.2 (2021-09-25)

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Merged pull requests:

• Elements to chemsys in validation check #274 (munrojm)

v0.13.1 (2021-09-24)

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Merged pull requests:

• Small builder changes #273 (munrojm)

v0.13.0 (2021-09-23)

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Merged pull requests:

• Builder bug fixes #272 (munrojm)

v0.12.7 (2021-09-15)

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v0.12.8 (2021-09-15)

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Merged pull requests:

• Remove phase diagram from thermo doc and builder #270 (munrojm)

v0.12.6 (2021-09-14)

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Merged pull requests:

• Materials and thermo builder fixes #269 (munrojm)

v0.12.5 (2021-09-09)

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Merged pull requests:

• Chunking bug fix #265 (munrojm)

v0.12.4 (2021-09-09)

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Merged pull requests:

• Fix pre-chunking for materials and thermo builder #264 (munrojm)

v0.12.3 (2021-09-09)

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Merged pull requests:

• Fix material builder #263 (munrojm)

v0.12.2 (2021-09-02)

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Merged pull requests:

• Validation builder U fix #257 (munrojm)

v0.12.1 (2021-09-02)

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Merged pull requests:

• Provenance to summary #256 (munrojm)

v0.12.0 (2021-09-02)

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Merged pull requests:

• Provenance overhaul #255 (munrojm)

v0.11.0 (2021-08-26)

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Merged pull requests:

• Builder updates for legacy data parity #249 (munrojm)

v0.10.0 (2021-08-19)

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Merged pull requests:

• Deprecation data added to PropertyDoc #247 (munrojm)

v0.9.3 (2021-08-05)

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Merged pull requests:

• Fix property doc names #241 (shyamd)

v0.9.2 (2021-08-05)

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Closed issues:

• feature: build data in all models #202

Merged pull requests:

• fix bugs in MPID #240 (rkingsbury)

v0.9.1 (2021-07-26)

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Merged pull requests:

• Revert structure back to using computed structure #239 (shyamd)

v0.9.0 (2021-07-23)

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Closed issues:

• Fix and standardize settings context var #237
• Build data in document model #232
• Thoughts on having StructureNL instead of Structure in canonical materials structure field? #97

Merged pull requests:

• New EmmetBaseModel #235 (shyamd)
• Substrates #231 (shyamd)
• Optimade Materials Doc #230 (shyamd)

v0.8.3 (2021-07-20)

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Fixed bugs:

• Oxidation state composition fields not serialized properly #216

Closed issues:

• Feature Request: Robocrystallographer #208
• Rotate structure to standard convention #111
• Returned docs too large for common API queries (third-order elasticity) #76

Merged pull requests:

• Better Provenance Management #228 (shyamd)

v0.8.2 (2021-07-16)

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Merged pull requests:

• Summary field bug fix #226 (munrojm)

v0.8.1 (2021-07-15)

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Merged pull requests:

• Rename summary stats model #225 (munrojm)

v0.8.0 (2021-07-15)

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Merged pull requests:

• Electronic structure and search builder updates #221 (munrojm)

v0.7.2 (2021-07-15)

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Merged pull requests:

• Fix Deprecated Materials Speed #224 (shyamd)

v0.7.1 (2021-07-13)

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v0.7.0 (2021-07-13)

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Merged pull requests:

• Robocrystallographer document #222 (shyamd)

v0.6.0 (2021-07-12)

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Merged pull requests:

• Add Deprecated Materials to MaterialsDoc construction #220 (shyamd)
• Fix provenance #219 (shyamd)

v0.5.0 (2021-07-02)

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Merged pull requests:

• Fix Validation #215 (shyamd)

v0.4.1 (2021-06-27)

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Merged pull requests:

• Fix oxidation doc composition #217 (shyamd)

v0.4.0 (2021-06-24)

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Merged pull requests:

• Add R2SCAN to run_types #214 (shyamd)

v0.3.6 (2021-06-24)

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Merged pull requests:

• Fix projection for vasp run_type determination #213 (shyamd)

v0.3.5 (2021-06-24)

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Merged pull requests:

• Fix run_type in validation #212 (shyamd)

v0.3.4 (2021-06-23)

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Merged pull requests:

• Bug: Reference the last calculation to determine run_type #211 (shyamd)

v0.3.3 (2021-06-23)

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Merged pull requests:

• Remove bson package requirement #209 (shyamd)

v0.3.2 (2021-06-21)

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Merged pull requests:

• Electronic Structure model and builder fixes #206 (munrojm)

v0.3.1 (2021-06-21)

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Merged pull requests:

• Use deprecated tasks in Materials Builder #207 (shyamd)

v0.3.0 (2021-06-16)

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Merged pull requests:

• Release Emmet Builders #205 (shyamd)

v0.2.4 (2021-06-14)

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Merged pull requests:

• Revert materials finding to old pipeline behavior #203 (shyamd)

v0.2.3 (2021-06-07)

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Merged pull requests:

• Fix oxidation document #201 (shyamd)

v0.2.2 (2021-06-04)

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v0.2.1 (2021-06-03)

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Merged pull requests:

• Reconcile changes on updates branch #199 (shyamd)
• Oxidation State Document #198 (shyamd)
• Move XAS Logic into document and clean up builder #197 (shyamd)
• Electronic structure and search components #189 (munrojm)

v0.2.0 (2021-05-10)

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Closed issues:

• Bug: set's get serialized into set() rather than a list #183
• task_type is moved to vasp/calc_type #121

Merged pull requests:

• various fixes to structure grouper an electrode documents and builders #178 (jmmshn)
• Updated materials and thermo builder #177 (jmmshn)
• Provenance Builder #176 (shyamd)
• relaxed enforced type of orig_input #175 (jmmshn)
• Fix serialization and update validation #174 (shyamd)
• Working Thermo Builder #170 (jmmshn)
• Add SCF gradient and Manual deprecation to VASP validation #169 (shyamd)
• Create MPID Type #167 (shyamd)
• Remove stubs in favor of monty pydantic compatability #165 (shyamd)
• made structure grouper work with material_ids #163 (jmmshn)
• minor changes to get material builder working on non-production databases. #162 (jmmshn)
• Electrode Doc #149 (jmmshn)
• Structure Group Docs and Builder #148 (jmmshn)
• Generate static run-types for IDEs #141 (shyamd)
• Added CrossRef builder #133 (jmmshn)
• Sanitize Enums #132 (utf)
• Use lattice model #131 (utf)
• cli: restoring tasks (bugfixes) #119 (tschaume)
• Emmet-Core Docs #117 (shyamd)
• Initial Documentation Structure #116 (shyamd)

v0.1.1-alpha (2020-04-19)

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v0.1-alpha (2020-04-19)

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Closed issues:

• Conflicts in electrodes.py #108
• Band gaps being reported differently from those described by mapidoc / the old builders #62
• KeyError when running lu_field with a store already containing data #45
• VaspDrone for emmet? #40

Merged pull requests:

• fixes for electrode builder #113 (jmmshn)
• Updates for the latest DB release #110 (shyamd)
• Working insertion electrodes builder #109 (jmmshn)
• Production updates for September 2019 #107 (shyamd)
• Update ICSD drone #105 (kmu)
• Change magnetism builder to build from tasks #104 (mkhorton)
• CLI: primitive structures, zip support, SNLs #101 (tschaume)
• Added StructurePredictionBuilder #98 (mattmcdermott)
• WIP: Initial creation of defects emmet builder #95 (dbroberg)
• WIP: Acceptance tests for deprecation guarding etc. #94 (dwinston)
• missing and (how did this work?) #93 (tschaume)
• Fix a bug in bond_valence #92 (kmu)
• bug fix #90 (jmmshn)
• Central repository for global variables #88 (mkhorton)
• WIP March Production Updates #87 (shyamd)
• Fixed sandbox bug and cleaned up #84 (jmmshn)
• Website Updates #82 (shyamd)
• Update to electrode builder to match the data required by the website builder #81 (jmmshn)
• Robocrystallographer audio builder #79 (dwinston)
• Build structure visualization JSON #78 (mkhorton)
• Add robocrys version to builder doc #75 (utf)
• Add robocrystallographer builder #74 (utf)
• [WIP] MPComplete status #73 (dwinston)
• Production Updates #72 (shyamd)
• fix: snl history is a list #70 (dwinston)
• Maggma update #69 (shyamd)
• [WIP] Update magnetic grouping #67 (mkhorton)
• Battery builder (work in progress) #66 (jmmshn)
• Production Updates #65 (shyamd)
• [WIP] Updates to magnetism, bond, mp_website builders, new bond_valence, mp_website_digest builders #64 (mkhorton)
• mp website update for propnet and toecs #63 (montoyjh)
• big elastic PR #61 (montoyjh)
• Added meta data & unit tests #60 (nisse3000)
• Added composition descritpors for similarity toolbox #59 (nisse3000)
• Fix 'magnestism' typo #58 (mkhorton)
• Removed min and max statistics from structure fingerprint #57 (nisse3000)
• Updated site-descriptor calculation to reflect best settings. #56 (nisse3000)
• [WIP] x-ray absorption spectra builder updates #55 (dwinston)
• Requested site-descriptor changes #53 (nisse3000)
• Install openbabel in test env #52 (dwinston)
• More Updates for MP Website #49 (shyamd)
• Avoid hardcoding local settings path on serialization #48 (dwinston)
• Added BoltztrapDosBuilder class #42 (fraricci)
• [WIP] Command Line Interface #41 (tschaume)

v2018.6.7 (2018-06-07)

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v2018.6.6 (2018-06-06)

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Merged pull requests:

• Updates #47 (shyamd)
• Fix diffraction builder. Add test for fixed method. #46 (dwinston)
• Replace TopologyBuilder with BondBuilder #44 (mkhorton)
• Copybuilder additions #43 (montoyjh)
• Massive amounts of refactoring in main builders #39 (shyamd)
• Adaptions to new pymatgen version and requiring most recent pymatgen version #37 (nisse3000)
• Fixes a few issues in wf builder and elastic builder #36 (montoyjh)
• Copybuilder bug - tqdm doesn't play nicely with next() #35 (montoyjh)
• Add tests for copybuilder. Was using old store attr lu_key. #34 (dwinston)
• README: editable install #33 (tschaume)
• Property workflow builder #32 (montoyjh)

v2018.4.2 (2018-04-02)

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Closed issues:

• A generalized warning generator for task documents? #26

Merged pull requests:

• Changed site-descriptor data structure & adapted structure similarity builder accordingly #31 (nisse3000)
• Massive reorganization #28 (shyamd)
• Corrected setup.py #27 (nisse3000)

v2018.3.9 (2018-03-09)

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Closed issues:

• SurfacePropertiesBuilder #23

Merged pull requests:

• Massive changeset for Production #25 (shyamd)
• Restructured site-descriptor storage #24 (nisse3000)
• Added a site-descriptor builder #22 (nisse3000)
• Builder updates (topology) #21 (mkhorton)
• Compatibility and elastic builders #20 (montoyjh)
• Fix substrates builder #18 (dwinston)
• abinit phonon builder #16 (gpetretto)

v2018.1.1 (2017-12-16)

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v2017.11.8 (2017-11-07)

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Closed issues:

• PyPi package #2

Merged pull requests:

• Readme update #15 (mkhorton)
• Initial topology builder #10 (mkhorton)
• Small update to README #9 (mkhorton)
• Small README update #8 (mkhorton)
• ICSD drone #7 (JPalakapilly)
• Fix sample script in README #6 (mkhorton)
• Minor doc update #5 (mkhorton)
• Initial commit for some documentation (in progress) #4 (mkhorton)
• Materials builder #3 (shyamd)
• Task tagger #1 (shyamd)

* This Changelog was automatically generated by github_changelog_generator