v0.8.0

Version 0.8.0

Commits

• [5a889aa] Electronic structure and search builder updates (#221)
• [4e5c45a] Updated CHANGELOG.md

v0.7.2

Version 0.7.2

Commits

• [6659568] Merge pull request #224 from materialsproject/fix-materials
• [de290bb] replace Sequence with List
• [828979a] store exception in warnings
• [7ea51c8] remove expensive initial structure matching
• [b2ebf44] Bump urllib3 from 1.25.8 to 1.26.5 in /emmet-cli

v0.7.1

Version 0.7.1

Commits

• [ddd5488] Bump pymatgen from 2022.0.9 to 2022.0.10 in /emmet-core
• [1fc419d] Bump monty from 2021.6.10 to 2021.7.8 in /emmet-core
• [4a31f3d] Remove post processing from testing
• [f07c8ea] new post-process workflow
• [529753e] Updated CHANGELOG.md

v0.7.0

Version 0.7.0

Commits

• [fe6da76] Merge pull request #222 from materialsproject/robocrys
• [14d8032] return hot-patched as_dict
• [8641bd8] use validator instead of monty serialization
• [36c2698] update serialization for new monty
• [f651d54] Merge branch 'main' into robocrys
• [ac1f9f3] Add structure to structure metadata
• [df30cac] add matminer to requirements for now
• [558c827] remove override for include_structure
• [a2217f9] update robocrys
• [7a1a55e] Add robocrys to requirements
• [b8fbe31] don't need to project all the structure metadata here
• [3f4fc18] ignore mypy override
• [b081d3f] Updated CHANGELOG.md

v0.6.0

Version 0.6.0

Commits

• [8a629ff] Merge pull request #220 from materialsproject/fix-builders
• [6aee820] Merge branch 'main' into fix-builders
• [c99bd02] construct deprecated materials for failures
• [517fc8d] Merge pull request #219 from materialsproject/fix-provenance
• [8e67438] construct deprecated materials
• [dcc861e] add tests for deprecated material construction
• [fbd13a8] reverse order of thermo processing
• [7327238] use standard comparator rather than order disorder for now
• [d50bbe9] provide error message for better debugging
• [a10364f] use strict mode to manage duplicates with pybtex
• [1bb7cf1] ensure history properly sorted
• [0cdb7ea] some SNLs have strings for description
• [cc0ad2a] not all authors have valid email strings
• [3be2aae] use structure instead of SNL
• [8827386] check experimental once
• [7060eca] use structure and attach SNL instead of going through wrapper
• [120bc0d] entries a dict, must use values
• [1cbfda7] convert to datetime before sorting
• [a0e7466] ensure SNLS is non-zero
• [057bc1c] ensure dict is preset
• [b930660] Updated CHANGELOG.md

v0.5.0

Version 0.5.0

Commits

• [5bda8f2] Merge pull request #215 from materialsproject/scan-id
• [c04074c] ensure important fields present in projection
• [ab82d75] better default for LASPH
• [d8ccb69] treat both special tags the same
• [43d57be] project hubbards key
• [857df9a] ensure good default value
• [f0c6fc8] use numpy allclose as more stable comparison
• [bfce30b] fix ValueEnum hashing
• [89da5f6] fix some quick bugs
• [622a05a] Merge branch 'main' into scan-id
• [ada37d3] revert validation to old emmet-updates style
• [cbae97d] provide type hints for input set
• [acd9127] ensure consistent pymatgen import
• [4a188af] ensure value enums can be compared with strings
• [878a91f] test validating LDAU params.
• [fbf74ba] add poorly validating hubbard u task
• [0564284] Fix left overs from a previous conflict
• [4f9d58d] Updated CHANGELOG.md

v0.4.1

Version 0.4.1

Commits

• [a25168c] Merge pull request #217 from materialsproject/fix-compositon-serialization
• [2cf79b2] remove charges in composition otherwise not bsonable
• [590c503] test suite for oxidation doc
• [d354f32] add mpid to oxidation states
• [fc1f861] jsanitize doc
• [9638766] sometimes parameters doesn't contain incar keys
• [ac6c552] Updated CHANGELOG.md

v0.4.0

Version 0.4.0

Commits

• [1fc2aa5] Merge pull request #214 from materialsproject/r2scan
• [ccfe9f7] ensure formula_pretty in projected doc
• [37793b3] negate boolean for validity
• [9d697e0] ensure subtracting sets
• [4220212] Add test for R2SCAN
• [07dcb4a] Add R2SCAN to run_types
• [05a6292] remove enums
• [5c699cc] ignore enums
• [4554590] fix overflowing distinct
• [7b9627f] Updated CHANGELOG.md

v0.3.6

Version 0.3.6

Commits

• [f1104b7] Merge pull request #213 from materialsproject/final-run-type-bug
• [44f00f4] can't project item in array, just sub keys
• [2a95a18] Add warning for run type utility
• [9109d4a] get around bad serialization loop
• [3c419b7] ensure run_type is tested in builders and doc model
• [2c2b5a5] update test tasks to include all fields
• [a8a0fe3] Update setup.py
• [a21d9bd] Update maggma version
• [c1ff558] Updated CHANGELOG.md

v0.3.5

Version 0.3.5

Commits

• [319e9df] Merge pull request #212 from materialsproject/fix-more-run-type
• [23553ef] fix issue of bad LDAU fields in vasprun parameters
• [079899e] fix test name
• [b329e03] update test task to have "input" keys
• [dd5e409] project right parameters in validation builders
• [16d58b3] ensure calc_type is using the same parameters
• [4261c1a] Updated CHANGELOG.md