v0.8.0

Rimu v0.8.0

Diff since v0.7.1

Merged pull requests:

• Reweighting replicas (#155) (@christofbradly)

v0.7.1

Rimu v0.7.1

Diff since v0.7.0

Merged pull requests:

• Feature/variational energy (#144) (@joachimbrand)
• CompatHelper: bump compat for Setfield to 1, (keep existing compat) (#150) (@github-actions[bot])
• Feature/package version (#151) (@joachimbrand)
• Feature/sim transform (#152) (@christofbradly)
• Bugfix/mixed_estimator_analysis (#153) (@joachimbrand)
• Feature/warn reweighting (#154) (@joachimbrand)

v0.7.0

Rimu v0.7.0

Diff since v0.6.1

Merged pull requests:

• Bugfix/abstractprojectors (#145) (@joachimbrand)
• log fewer progress messages (#146) (@joachimbrand)
• Diagonal operators (#147) (@mtsch)
• Feature/report to file with skip (#148) (@christofbradly)
• Bugfix/speedup estimators (#149) (@joachimbrand)

v0.6.1

Rimu v0.6.1

Diff since v0.6.0

Merged pull requests:

• Documentation/gutzwiller (#140) (@joachimbrand)
• Bugfix/exact spawning (#141) (@joachimbrand)
• Prepare Rimu for registration (#142) (@mtsch)

Major release 0.6.0

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.

Major release v0.5.0

Changes

• new call signature for lomc() with automatic choice of starting vector
• clean up of ShiftStrategy with deprecations of some experimental strategies
• DontUpdate strategy now accepts targetwalkers.
• improves docstrings for post_step and r_strat

Bug fixes

• fixes lomc! fails with LogUpdate #103
• fixes bug in scripts/BHM-example.jl and tests the script in CI

Merged PRs

• #104 Fix and test LogUpdate

Major release v0.4.0

Changes

• Added new convenience functions to StatsTools.
• New DVec implementation and InitiatorDVec for the initiator algorithm. Removed DVec2, DFVec, and FastDVec.
• Reworked internals with QMCState and ReplicaState
• New replica code with ReplicaStrategy.
• Two body correlation operator: G2Correlator.
• New ReportingStrategy: ReportToFile.
• Various bugfixes

Merged PRs

• add StaticArrays and remove Rimu in benchmark/Project.toml (#65)
• Feature/stats tools convenience (#62)
• Remove fake initiator from IsDynamicSemistochastic (#66)
• New DVecs and QMCState (#67)
• Feature/initiator docstrings (#68)
• Replica strategies (#69)
• Bugfix: Make AllOverlaps work with MPIData. (#70)
• Bugfix MPI and AllOverlaps take 2 (#71)
• Vector iteration improvements (#73)
• Reduce memory used by reporting (#75)
• Allow multiple operators in AllOverlaps (#74)
• Feature/two body correlation (#72)
• ReportToFile (#76)
• Fix AllOverlaps constructor (#78)
• DVec save and load (#77)
• Break up strategies_and_params.jl (#79)
• Fix bug with MPI and complex operators with AllOverlaps (#80)
• MPI-related fixes and improvements. (#82)
• Feature/doc stats (#83)
• Bugfix/g2correlator wrong momenta (#85)
• Fix inference problems with offdiagonals (#86)
• Update benchmark suite (#87)

Clean up v0.3.2

Minor changes compared to v0.3.1. Mostly cleaned up some unused types and methods.

Minor release v0.3.1

• compatibility with Julia v1.6
• bit string type BitString
• module StatsTools
• MPI rework and bug fixes
• use latest version of Arrow
• importance sampling

Minor release

Last release before rework of BitStringAddresses

New Features

• faster Hamiltonian HubbardMom1D
• simpler DictVector DVec2

Other Changes

• automated benchmarking
• extended testing