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Releases: cheminfo/chem-equilibrium

v3.0.0

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@cheminfo-bot cheminfo-bot released this 14 Aug 17:57
68577ea

3.0.0 (2026-08-14)

⚠ BREAKING CHANGES

  • Helper.eqSet is now Helper.equationSet.
  • database now holds 129 entries instead of 127; the two added are marked active: false. Consumers reading it directly must skip them.
  • the package is ESM-only and has no default export; import the named exports instead.
  • corrected constants change computed results — the phosphorous acid chain, Mn(OH)2, PbI2 and the six ethylenediamine complexes — and the solid convergence test is now relative, so hydroxide systems that used to return null converge.
  • the package has no default export anymore. Use import { Equilibrium } from 'chem-equilibrium' instead of import Equilibrium from 'chem-equilibrium', and the UMD bundle exposes ChemEquilibrium.Equilibrium instead of ChemEquilibrium.default. The Equilibrium.Helper and Equilibrium.Serie static properties are gone, import Helper and Serie directly.

Features

  • drop default exports in favour of named exports (5336223)
  • make src/data the source of truth and record inactive entries (373c6dc)
  • migrate package to ESM and current tooling (3d5d1ee)
  • move to a monorepo with equilibrium.cheminfo.org (335dbda)
  • name the site equilibrium.cheminfo.org and mark where curves bend (69bfd6a)
  • rename Helper.eqSet to equationSet and document the optional types (5f99614)
  • set the name as EquiLibrium and inline the EPFL logo (92f2ced)
  • ship only the solver, and move the site to its own repository (7a154e8)

Bug Fixes

  • build the library before linting (3ca1200)
  • H2PO3 to H3PO3 (2ad1c5b)
  • name ethylenediamine by its formula rather than en (ff8c88e)

v2.2.1

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@cheminfo-bot cheminfo-bot released this 30 Mar 09:07

Release v2.2.1

v2.2.0

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@cheminfo-bot cheminfo-bot released this 29 Mar 14:31

Release v2.2.0

v2.1.0

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@cheminfo-bot cheminfo-bot released this 30 Aug 13:31

Release v2.1.0

v2.0.0

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@cheminfo-bot cheminfo-bot released this 30 Aug 12:54

Release v2.0.0