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README.md 2021-08-08 1.6 kB
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Fermi v0.3.0

Diff since v0.2.0

Closed issues: - add tensoroperations to Fermi.contract, add option to use TBLIS vs. TO (#30) - Using RHF as a guess to new RHF is broken (#40) - Mysterious parameter in the RHF code (#41) - Error printing determinants at the end of CI computation (#47) - Base.show needs to pass io (#95)

Merged pull requests: - First batch towards 1.0 (#61) (@gustavojra) - Libcint now used for integrals (#69) (@gustavojra) - Add one extra standard basis set for testing (#70) (@gustavojra) - Changes to logo (#72) (@gustavojra) - Lints removed (#77) (@gustavojra) - Deploy docs (#79) (@gustavojra) - Single precision implemented (#80) (@gustavojra) - Small fixes (#81) (@gustavojra) - Fixing tests for @get (#82) (@gustavojra) - CompatHelper: add new compat entry for "Suppressor" at version "0.2" (#83) (@github-actions[bot]) - Fermi.Error removed (#85) (@gustavojra) - New tests for Arrays (#86) (@gustavojra) - New docs for home page (#87) (@gustavojra) - Fix docs (#88) (@gustavojra) - New documentations and clean up! (#89) (@gustavojra) - New docsstrings (#90) (@gustavojra) - Tests for Integrals.jl (#91) (@gustavojra) - CompatHelper: add new compat entry for "PrettyTables" at version "1" (#92) (@github-actions[bot]) - CompatHelper: add new compat entry for "Strided" at version "1" (#93) (@github-actions[bot]) - More tests (#94) (@gustavojra) - UHF implementation (#97) (@sgoodlett) - DF and SparseERI for UHF (#98) (@sgoodlett) - CompatHelper: add new compat entry for "Memoize" at version "0.4" (#99) (@github-actions[bot])

Source: README.md, updated 2021-08-08