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@mattmcdermott mattmcdermott released this 22 Jan 00:21
v4.0.0
dd7b22d
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Learn about vigilant mode.

Version 4.0.0

Commits

  • [dd7b22d] Merge pull request #59 from GENESIS-EFRC/matt-tests
  • [83c6275] Updating docstrings part 2
  • [c047ea2] Updating docstrings part 1
  • [dc0eada] fix github action
  • [4771827] fix github actions conda problem
  • [ea435f7] fix broken tests
  • [6dfcd72] add black/pylint to testing requirements
  • [c451c8b] pylint
  • [69aaddb] flake8 exclude F401
  • [592a6f3] linting
  • [02ae1a2] fix several mypy issues
  • [32d8004] fix broken link for notebooks (had to duplicate)
  • [706b31d] update docs and docstrings
  • [8c3607c] update docs organization
  • [79ed4d3] Fix same numpy bug for lint/docs
  • [979a7e9] Ok this might be the one
  • [8121ef4] Merge branch 'main' into matt-tests
  • [585aecd] bump other reqs, try again for numpy
  • [1e0978f] I can't figure out this numpy problem
  • [16fa96a] try fixing dependencies again
  • [4ec9b26] change GitHub action
  • [7bd487b] add numpy to reqs
  • [1cfdea3] bump dependencies
  • [7a8a99a] docstrings + linting
  • [00a092f] move get_entry_task, clean up files
  • [984a083] Make enumerator chemsys filtering more robust
  • [8c6196d] Fix NIST-JANAF bug with Na2CO3
  • [5cd020d] Add fireworks support for calculating c scores
  • [096091e] linting and fix reaction competitiveness bug
  • [35fdb3e] Add to_dataframe() method for ReactionSet
  • [fa8690b] ReactionSet can now regenerate OpenComputedReaction types
  • [297c3ae] Add CompetitivenessScoreCalculator
  • [a32d29f] fix experimental ref entry bug in network
  • [fa05ddc] Fix bug in creating ExperimentalReferenceEntry where comp was wrong
  • [a7d4e1c] GibbsEntrySet now only uses minimum experimental entry data
  • [39a2e7b] Clean up files
  • [05b4a62] fix data bug in ExperimentalReferenceEntry
  • [5c37e53] fix broken test
  • [2e25462] Test of commit with docstring update
  • [f6592c5] fix imports
  • [00e62af] clean up files
  • [4abf16e] add to git ignore
  • [d3b0f26] fix RunNetwork firetask
  • [f4900a8] improve RunNetwork firetask
  • [2356427] Finish PathwaySet implementation
  • [09eda16] Add CalcDb, first part of PathwaySet for saving paths
  • [c292704] clean up network firetasks
  • [61f3cda] Add supporting firetasks for network generation
  • [c54736c] Update network notebook
  • [1a615a9] enumerators NB, fix entry_set serialization bug, README update
  • [ec71022] Merge remote-tracking branch 'upstream/matt-tests' into matt-tests
  • [367510a] NB update part 2
  • [603dd44] 1st part of update to example NBs
  • [54e7758] fix broken test for entry
  • [1181ff8] add barin data warning
  • [4b350ab] Generate new NIST-JANAF data
  • [858a6ae] fix line length
  • [a205041] fix targets bug
  • [590ba20] fix bug in enumerator firework
  • [92cd517] begin adding firework for network creation
  • [6719424] clean up NBs slightly
  • [3cd3e5c] major bug fix in pathway solver due to build_indices; added NBs
  • [771411b] fix broken test due to added barin data
  • [0c44c88] add barin table data, graph saving/loading
  • [2bb1cbb] remove entry_set dependency in pymatgen
  • [1f10163] add docstrings for linting
  • [58fb0e3] Fix bug where open entries were being considered in exclusion
  • [f955547] fix enumerator bug, entry_set bug
  • [2d3decb] change to exclusive_targets, adjust pathway plotting
  • [7e667b6] add pathway plotting, fix testing bug
  • [d91b087] add plotting for pathways, fix solver bug
  • [ea0cd0e] speed up chempot distance calculation
  • [1482ac1] Create CONTRIBUTING.md
  • [81754af] Create CODE_OF_CONDUCT.md
  • [5a134c8] Bump mkdocstrings from 0.15.2 to 0.16.1
  • [691b0f8] Bump pre-commit from 2.14.1 to 2.15.0
  • [ff4f98b] Bump mkdocs-minify-plugin from 0.4.0 to 0.4.1
  • [19760ed] Updated CHANGELOG.md
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