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Major release 0.6.0

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@mtsch mtsch released this 21 Dec 22:39
· 147 commits to develop since this release

New Features

  • New address types, FermiFS for representing fermionic addresses and CompositeFS for representing arbitrary mixtures.
  • HubbardRealSpace: Hubbard model for arbitrary mixtures in real space.
  • HubbardMom1D now supports custom dispersions via the dispersion keyword argument.
  • HubbardMom1D and HubbardMom1DEP now support two-component fermionic addresses.
  • HubbardMom1DEP and HubbardReal1DEP for Hubbard models with harmonic potentials.
  • Transcorrelated1D: 1D transcorrelated Hamiltonian for two-component fermions.
  • BasisSetRep for transforming Hamiltonians into (sparse or dense) matrices.
  • ParitySymmetry and TimeReversalSymmetry for reducing Hilbert space size of some Hamiltonians.
  • SingleParticleDensity, DensityMatrixDiagonal and Momentum for inspecting the wavefunction at every step of lomc!.
  • New StatsTools functions: shift_estimator, projected_energy, val, errs, val_and_errs, method for NamedTuples for converting BlockingResult and RatioBlockingResult.
  • Addresses in DVecs are now printed compactly.
  • lomc! now displays a progress bar.

Internal Changes

  • New module Interfaces contains all interfaces used by different parts of Rimu.
  • New module StochasticStyles with implementations of StochasticSyles.
  • The excitation function is used for performing excitations on addresses.
  • OccupiedModeMap finds and stores occupied modes in addresses.
  • Threading is now controlled with a ThreadingStrategy.

Other Changes

  • Julia 1.7 compatibility.
  • Various performance improvements.
  • save_dvec and load_dvec are now exported.
  • Improved documentation.