v0.9.0

Rimu v0.9.0

Diff since v0.8.1

Closed issues:

• Random numbers and threading (#158)
• Incorrect info in lomc!() docstring (#172)
• lomc! test randomly failing (#176)
• Tests failing on Apple Silicon (#197)

Merged pull requests:

• Exact diagonalisation example (#161) (@mtsch)
• Make symmetries preserve LOStructures of Hamiltonians (#169) (@mtsch)
• Sparse Addresses (#173) (@mtsch)
• Bugfix/g2example tests (#174) (@christofbradly)
• Make Hamiltonian constructor throw error when passed a type (#175) (@joachimbrand)
• CompatHelper: bump compat for MPI to 0.20, (keep existing compat) (#177) (@github-actions[bot])
• Spring cleaning part 1: Remove ConsistentRNG, silence StatsTools tests (#178) (@mtsch)
• Spring cleaning part II: Clean up StochasticStyles (#180) (@mtsch)
• Add fix for fold=false with BoseFS (#182) (@mtsch)
• Clean up MPI testing (#184) (@joachimbrand)
• Disable fail-fast in GH actions (#185) (@mtsch)
• Remove threading (#186) (@mtsch)
• Add an extension for using Rimu with KrylovKit (#187) (@mtsch)
• PDVec with tuples (#188) (@mtsch)
• Fix bug in dot on FermiOccupiedModes (#189) (@mtsch)
• VectorInterface and other vector improvements (#191) (@mtsch)
• get basis w/o sparse matrix (#192) (@christofbradly)
• Change tolerance in ratio_of_means test (#193) (@mtsch)
• Fix long compilation times when creating Fock addresses (#194) (@mtsch)
• Fix equality for DVec (#195) (@mtsch)
• Apple silicon workaround (#196) (@joachimbrand)
• Implement FCIQMC as transition operator (#198) (@mtsch)
• optional sizehint for building matrix (#199) (@christofbradly)
• Harmonic oscillator in Cartesian basis (#200) (@christofbradly)
• CompatHelper: bump compat for StatsBase to 0.34, (keep existing compat) (#201) (@github-actions[bot])
• HO example (#202) (@christofbradly)
• CompatHelper: add new compat entry for Combinatorics at version 1, (keep existing compat) (#203) (@github-actions[bot])
• CompatHelper: add new compat entry for TupleTools at version 1, (keep existing compat) (#204) (@github-actions[bot])
• CompatHelper: add new compat entry for HypergeometricFunctions at version 0.3, (keep existing compat) (#205) (@github-actions[bot])
• Feature/dimension (#206) (@joachimbrand)

v0.8.1

Rimu v0.8.1

Diff since v0.8.0

Closed issues:

• Tests fail on Julia v1.8rc4 (#157)

Merged pull requests:

• Optimize sparse matrix construction, add option to select column based on their diagonal elements. (#156) (@mtsch)
• Feature/doc fix (#159) (@christofbradly)
• Feature/g2 example (#160) (@christofbradly)
• Fix #157, test on latest and nightly Julia (#162) (@mtsch)
• Stoquastic wrapper for Hamiltonians (#163) (@joachimbrand)
• Fix maxlength reached error in allocation tests (#164) (@mtsch)
• Bugfix/momentum (#165) (@joachimbrand)
• add trap to HubbardRealSpace (#167) (@christofbradly)
• remove example testing (#168) (@christofbradly)
• Bugfix/working memory (#170) (@joachimbrand)

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.