Merge pull request #161 from pablosanjose/c1deflate_smalljordan

Deflating Schur algorithm for quasi1D Green functions

Project.toml

@@ -16,6 +16,7 @@ Requires = "ae029012-a4dd-5104-9daa-d747884805df"
 SparseArrays = "2f01184e-e22b-5df5-ae63-d93ebab69eaf"
 StaticArrays = "90137ffa-7385-5640-81b9-e52037218182"
 Statistics = "10745b16-79ce-11e8-11f9-7d13ad32a3b2"
+SuiteSparse = "4607b0f0-06f3-5cda-b6b1-a6196a1729e9"
 
 [compat]
 ExprTools = "^0.1"

src/Quantica.jl

@@ -11,7 +11,7 @@ function __init__()
 end
 
 using StaticArrays, NearestNeighbors, SparseArrays, LinearAlgebra, OffsetArrays,
-      ProgressMeter, LinearMaps, Random
+      ProgressMeter, LinearMaps, Random, SuiteSparse
 
 using ExprTools
 
@@ -29,7 +29,7 @@ export sublat, bravais, lattice, dims, supercell, unitcell,
        bands, vertices,
        energies, states, degeneracy,
        momentaKPM, dosKPM, averageKPM, densityKPM, bandrangeKPM,
-       greens, greensolver, SingleShot1D
+       greens, greensolver, Schur1D
 
 export RegionPresets, RP, LatticePresets, LP, HamiltonianPresets, HP
 

src/bandstructure.jl

@@ -11,7 +11,7 @@ Subspace(h::Hamiltonian, args...) = Subspace(h.orbstruct, args...)
 Subspace(::Missing, energy, basis, basevert...) =
     Subspace(OrbitalStructure(eltype(basis), size(basis, 1)), energy, basis, basevert...)
 Subspace(o::OrbitalStructure, energy, basis, basevert...) =
-    Subspace(energy, unflatten_or_reinterpret(basis, o), o, basevert...)
+    Subspace(energy, unflatten_orbitals_or_reinterpret(basis, o), o, basevert...)
 Subspace(energy::T, basis, orbstruct) where {T} = Subspace(energy, basis, orbstruct, SVector{0,T}())
 Subspace(energy::T, basis, orbstruct, basevert) where {T} = Subspace(energy, basis, orbstruct, SVector(T.(basevert)))
 
@@ -38,9 +38,10 @@ degeneracy(m::AbstractMatrix) = isempty(m) ? 1 : size(m, 2)  # To support sentin
 
 orbitalstructure(s::Subspace) = s.orbstruct
 
-flatten(s::Subspace) = Subspace(s.energy, _flatten(s.basis, s.orbstruct), s.orbstruct, s.basevert)
+flatten(s::Subspace) =
+    Subspace(s.energy, flatten(s.basis, s.orbstruct), s.orbstruct, s.basevert)
 
-unflatten(s::Subspace, o::OrbitalStructure) = Subspace(s.energy, unflatten(s.basis, o), o, s.basevert)
+unflatten(s::Subspace, o::OrbitalStructure) = Subspace(s.energy, unflatten_orbitals(s.basis, o), o, s.basevert)
 
 # destructuring
 Base.iterate(s::Subspace) = s.energy, Val(:basis)
@@ -51,6 +52,8 @@ Base.first(s::Subspace) = s.energy
 Base.last(s::Subspace) = s.basis
 Base.length(s::Subspace) = 2
 
+Base.copy(s::Subspace) = deepcopy(s)
+
 #######################################################################
 # Spectrum
 #######################################################################

src/diagonalizer.jl

@@ -77,7 +77,7 @@ end
 
 function (d::Diagonalizer)(φs)
     ϵ, ψ = d(φs, NoUnflatten())
-    ψ´ = unflatten_or_reinterpret(ψ, d.orbstruct)
+    ψ´ = unflatten_orbitals_or_reinterpret(ψ, d.orbstruct)
     return ϵ, ψ´
 end