Releases: materialsproject/emmet
Releases · materialsproject/emmet
v0.8.0
v0.7.2
v0.7.1
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