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Honeycomb and hexagonal geometries #305

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Honeycomb and hexagonal geometries #305

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0e65cd5
Implement new geometries
mtsch Jan 21, 2025
20d8034
tests
mtsch Jan 21, 2025
58cdfc6
more tests, docs
mtsch Jan 21, 2025
f0a3436
add missing docs reference
mtsch Jan 21, 2025
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20 changes: 13 additions & 7 deletions docs/src/hamiltonians.md
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Expand Up @@ -65,11 +65,11 @@ Stoquastic
```

## Observables
`Rimu.jl` offers two other supertypes for operators that are less
restrictive than [`AbstractHamiltonian`](@ref).
`Rimu.jl` offers two other supertypes for operators that are less
restrictive than [`AbstractHamiltonian`](@ref).
[`AbstractObservable`](@ref) and [`AbstractOperator`](@ref)s both
can represent a physical observable. Their expectation values can be sampled during a [`ProjectorMonteCarloProblem`](@ref) simulation by
passing them into a suitable [`ReplicaStrategy`](@ref), e.g.
can represent a physical observable. Their expectation values can be sampled during a [`ProjectorMonteCarloProblem`](@ref) simulation by
passing them into a suitable [`ReplicaStrategy`](@ref), e.g.
[`AllOverlaps`](@ref). Some observables are also [`AbstractHamiltonian`](@ref)s. The full type hierarchy is
```julia
AbstractHamiltonian{T} <: AbstractOperator{T} <: AbstractObservable{T}
Expand All @@ -96,13 +96,19 @@ Lattices in higher dimensions are defined here and can be passed with the keywor
`geometry` to [`HubbardRealSpace`](@ref) and [`G2RealSpace`](@ref).

```@docs
Hamiltonians.Geometry
CubicGrid
Hamiltonians.Directions
Hamiltonians.Displacements
Hamiltonians.neighbor_site
PeriodicBoundaries
HardwallBoundaries
LadderBoundaries
HoneycombLattice
HexagonalLattice
Hamiltonians.Directions
Hamiltonians.Displacements
Hamiltonians.num_dimensions
Hamiltonians.periodic_dimensions
Hamiltonians.num_neighbors
Hamiltonians.neighbor_site
```

## Index
Expand Down
2 changes: 1 addition & 1 deletion src/Hamiltonians/Hamiltonians.jl
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Expand Up @@ -86,7 +86,7 @@ export G2RealCorrelator, G2RealSpace, SuperfluidCorrelator, DensityMatrixDiagona
export SingleParticleExcitation, TwoParticleExcitation, ReducedDensityMatrix
export StringCorrelator, G2MomCorrelator

export CubicGrid, PeriodicBoundaries, HardwallBoundaries, LadderBoundaries
export CubicGrid, PeriodicBoundaries, HardwallBoundaries, LadderBoundaries, HoneycombLattice, HexagonalLattice

export HOCartesianContactInteractions, HOCartesianEnergyConservedPerDim, HOCartesianCentralImpurity
export AxialAngularMomentumHO
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13 changes: 8 additions & 5 deletions src/Hamiltonians/HubbardRealSpace.jl
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Expand Up @@ -140,11 +140,14 @@ is produced if `address`is incompatible with the interaction parameters `u`.

## Geometries

Implemented [`CubicGrid`](@ref)s for keyword `geometry`
Implemented [`Geometry`](@ref)s for keyword `geometry`

* [`CubicGrid`](@ref)
* [`PeriodicBoundaries`](@ref)
* [`HardwallBoundaries`](@ref)
* [`LadderBoundaries`](@ref)
* [`HoneycombLattice`](@ref)
* [`HexagonalLattice`](@ref)

Default is `geometry=PeriodicBoundaries(M,)`, i.e. a one-dimensional lattice with the
number of sites `M` inferred from the number of modes in `address`.
Expand All @@ -163,7 +166,7 @@ number of sites `M` inferred from the number of modes in `address`.
struct HubbardRealSpace{
C, # components
A<:AbstractFockAddress,
G<:CubicGrid,
G<:Geometry,
D, # dimension
# The following need to be type params.
T<:SVector{C,Float64},
Expand All @@ -181,7 +184,7 @@ end

function HubbardRealSpace(
address::AbstractFockAddress;
geometry::CubicGrid=PeriodicBoundaries((num_modes(address),)),
geometry::Geometry=PeriodicBoundaries((num_modes(address),)),
t=ones(num_components(address)),
u=ones(num_components(address), num_components(address)),
v=zeros(num_components(address), num_dimensions(geometry))
Expand Down Expand Up @@ -314,7 +317,7 @@ struct HubbardRealSpaceCompOffdiagonals{G,A} <: AbstractOffdiagonals{A,Float64}
end

function offdiagonals(h::HubbardRealSpace, comp, add)
neighbours = 2 * num_dimensions(h.geometry)
neighbours = num_neighbors(h.geometry)
return HubbardRealSpaceCompOffdiagonals(
h.geometry, add, h.t[comp], num_occupied_modes(add) * neighbours
)
Expand All @@ -323,7 +326,7 @@ end
Base.size(o::HubbardRealSpaceCompOffdiagonals) = (o.length,)

@inline function Base.getindex(o::HubbardRealSpaceCompOffdiagonals, chosen)
neighbours = 2 * num_dimensions(o.geometry)
neighbours = num_neighbors(o.geometry)
particle, neigh = fldmod1(chosen, neighbours)
src_index = find_occupied_mode(o.address, particle)
neigh = neighbor_site(o.geometry, src_index.mode, neigh)
Expand Down
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