add selector_hartree to meanfield

src/docstrings.jl

@@ -2670,7 +2670,8 @@ where `U` is the onsite interaction.
 - `charge`: a number (in single-orbital systems) or a matrix (in multi-orbital systems) representing the charge operator on each site. Default: `I`
 - `nambu::Bool`: specifies whether the model is defined in Nambu space. In such case, `charge` should also be in Nambu space, typically `SA[1 0; 0 -1]` or similar. Default: `false`
 - `namburotation::Bool`: if `nambu == true` and spinful systems, specifies whether the spinor basis is `[c↑, c↓, c↓⁺, -c↑⁺]` (`namburotation = true`) or `[c↑, c↓, c↑⁺, c↓⁺]` (`namburotation = false`). Default: `false`
-- `selector::NamedTuple`: a collection of `hopselector` directives that defines the pairs of sites (`pair_selection` above) that interact through the charge-charge potential. Default: `(; range = 0)` (i.e. onsite)
+- `selector::NamedTuple`: a collection of `hopselector` directives that defines the pairs of sites (`pair_selection` above) that interact through the charge-charge potential. Default: `(; range = 0)` (i.e. only onsite)
+- `selector_hartree::NamedTuple`: same as `selector`, but restricted to the Hartree interaction. Useful to do efficient Hartree-only simulations, by setting `fock = 0` and leaving `selector` at its `(; range =0)` default. Then, having a large range in `selector_hartree` will be cheap. Default: `selector`.
 
 Any additional keywords `kw` are passed to the `densitymatrix` function used to compute the
 mean field, see above

src/meanfield.jl

@@ -26,7 +26,7 @@ struct ZeroField end
 function meanfield(g::GreenFunction{T,E}, args...;
     potential = Returns(1), hartree = potential, fock = hartree,
     onsite = missing, charge = I, nambu::Bool = false, namburotation = missing,
-    selector::NamedTuple = (; range = 0), kw...) where {T,E}
+    selector::NamedTuple = (; range = 0), selector_hartree = selector, kw...) where {T,E}
 
     Vh = sanitize_potential(hartree)
     Vf = sanitize_potential(fock)
@@ -46,8 +46,8 @@ function meanfield(g::GreenFunction{T,E}, args...;
     lat = lattice(hamiltonian(g))
     # The sparse structure of hFock will be inherited by the evaluated mean field. Need onsite.
     hFock = lat |> hopping((r, dr) -> iszero(dr) ? Uf : T(Vf(dr)); selector..., includeonsite = true)
-    hHartree = (Uf == U && Vh === Vf) ? hFock :
-        lat |> hopping((r, dr) -> iszero(dr) ? U : T(Vh(dr)); selector..., includeonsite = true)
+    hHartree = (Uf == U && Vh == Vf && selector == selector_hartree) ? hFock :
+        lat |> hopping((r, dr) -> iszero(dr) ? U : T(Vh(dr)); selector_hartree..., includeonsite = true)
     # this drops zeros
     potHartree = T.(sum(unflat, harmonics(hHartree)))
 

src/solvers/green/schur.jl

@@ -697,7 +697,7 @@ function (s::DensityMatrixSchurSolver)(µ, kBT; params...)
     xs = sort!(ϕs ./ (2π))
     pushfirst!(xs, -0.5)
     push!(xs, 0.5)
-    xs = [mean(view(xs, rng)) for rng in approxruns(xs)]  # elliminate approximate duplicates
+    xs = [mean(view(xs, rng)) for rng in approxruns(xs)]  # eliminate approximate duplicates
     result = call!_output(s.gs)
     integrand!(x) = fermi_h!(result, s, 2π * x, µ, inv(kBT); params...)
     fx! = (y, x) -> (y .= integrand!(x))