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Various (hopefully final) fixes (again) #233

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Jan 22, 2025
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Various (hopefully final) fixes (again) #233

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10bbc1d
fix readme
lkdvos Jan 21, 2025
e44e764
Fix PBC
lkdvos Jan 22, 2025
65eff95
update README
lkdvos Jan 22, 2025
5fdaa41
remove_orphans! for all mpos
lkdvos Jan 22, 2025
5631474
Update hard hexagon
lkdvos Jan 22, 2025
af2fab0
Fix envs after optimalexpand
lkdvos Jan 22, 2025
4a238e0
Fix ising example
lkdvos Jan 22, 2025
aee96a1
Update haldane example
lkdvos Jan 22, 2025
b520f69
Update Ising dqpt example
lkdvos Jan 22, 2025
ea17f00
Fix typo in IDMRG2 struct
lkdvos Jan 22, 2025
70fe465
Update XXZ and Haldane examples
lkdvos Jan 22, 2025
0f75df7
More fixes
lkdvos Jan 22, 2025
141f27a
Fix example hubbard
lkdvos Jan 22, 2025
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90 changes: 45 additions & 45 deletions docs/src/examples/classic2d/1.hard-hexagon/index.md
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8 changes: 4 additions & 4 deletions docs/src/examples/classic2d/1.hard-hexagon/main.ipynb
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Expand Up @@ -39,7 +39,7 @@
"cell_type": "code",
"source": [
"mpo = hard_hexagon()\n",
"P = space(mpo.opp[1], 2)\n",
"P = physicalspace(mpo, 1)\n",
"function virtual_space(D::Integer)\n",
" _D = round(Int, D / sum(dim, values(FibonacciAnyon)))\n",
" return Vect[FibonacciAnyon](sector => _D for sector in (:I, :τ))\n",
Expand Down Expand Up @@ -86,7 +86,7 @@
"source": [
"## The scaling hypothesis\n",
"\n",
"The dominant eigenvector is of course only an approximation. The finite bond dimension enforces a finite correlation length, which effectively introduces a length scale in the system. This can be exploited to formulate a [scaling hypothesis](https://arxiv.org/pdf/0812.2903.pdf), which in turn allows to extract the central charge.\n",
"The dominant eigenvector is of course only an approximation. The finite bond dimension enforces a finite correlation length, which effectively introduces a length scale in the system. This can be exploited to formulate a [pollmann2009](@cite), which in turn allows to extract the central charge.\n",
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"\n",
"First we need to know the entropy and correlation length at a bunch of different bond dimensions. Our approach will be to re-use the previous approximated dominant eigenvector, and then expanding its bond dimension and re-running VUMPS.\n",
"According to the scaling hypothesis we should have $S \\propto \\frac{c}{6} log(ξ)$. Therefore we should find $c$ using"
Expand Down Expand Up @@ -145,11 +145,11 @@
"file_extension": ".jl",
"mimetype": "application/julia",
"name": "julia",
"version": "1.11.1"
"version": "1.11.2"
},
"kernelspec": {
"name": "julia-1.11",
"display_name": "Julia 1.11.1",
"display_name": "Julia 1.11.2",
"language": "julia"
}
},
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407 changes: 221 additions & 186 deletions docs/src/examples/quantum1d/1.ising-cft/index.md
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12 changes: 6 additions & 6 deletions docs/src/examples/quantum1d/1.ising-cft/main.ipynb
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Expand Up @@ -34,7 +34,7 @@
"cell_type": "code",
"source": [
"L = 12\n",
"H = periodic_boundary_conditions(transverse_field_ising(), L);"
"H = periodic_boundary_conditions(transverse_field_ising(), L)"
],
"metadata": {},
"execution_count": null
Expand Down Expand Up @@ -97,7 +97,7 @@
"source": [
"id = complex(isomorphism(ℂ^2, ℂ^2))\n",
"@tensor O[-1 -2; -3 -4] := id[-1, -3] * id[-2, -4]\n",
"T = periodic_boundary_conditions(DenseMPO(O), L);"
"T = periodic_boundary_conditions(InfiniteMPO([O]), L)"
],
"metadata": {},
"execution_count": null
Expand Down Expand Up @@ -191,11 +191,11 @@
"outputs": [],
"cell_type": "code",
"source": [
"E_ex, qps = excitations(H, QuasiparticleAnsatz(), ψ, envs; num=16)\n",
"E_ex, qps = excitations(H_mps, QuasiparticleAnsatz(), ψ, envs; num=16)\n",
"states_mps = vcat(ψ, map(qp -> convert(FiniteMPS, qp), qps))\n",
"E_mps = map(x -> expectation_value(x, H_mps), states_mps)\n",
"\n",
"T_mps = periodic_boundary_conditions(DenseMPO(O), L_mps)\n",
"T_mps = periodic_boundary_conditions(InfiniteMPO([O]), L_mps)\n",
"momenta_mps = Float64[]\n",
"append!(momenta_mps, fix_degeneracies(states[1:1]))\n",
"append!(momenta_mps, fix_degeneracies(states[2:2]))\n",
Expand Down Expand Up @@ -232,11 +232,11 @@
"file_extension": ".jl",
"mimetype": "application/julia",
"name": "julia",
"version": "1.11.1"
"version": "1.11.2"
},
"kernelspec": {
"name": "julia-1.11",
"display_name": "Julia 1.11.1",
"display_name": "Julia 1.11.2",
"language": "julia"
}
},
Expand Down
250 changes: 124 additions & 126 deletions docs/src/examples/quantum1d/2.haldane/index.md
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18 changes: 13 additions & 5 deletions docs/src/examples/quantum1d/2.haldane/main.ipynb
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Expand Up @@ -36,7 +36,9 @@
"outputs": [],
"cell_type": "code",
"source": [
"H = heisenberg_XXX(ComplexF64, SU2Irrep; spin=1, J=1);"
"symmetry = SU2Irrep\n",
"spin = 1\n",
"J = 1"
],
"metadata": {},
"execution_count": null
Expand All @@ -63,9 +65,12 @@
"cell_type": "code",
"source": [
"L = 11\n",
"chain = FiniteChain(L)\n",
"H = heisenberg_XXX(symmetry, chain; J, spin)\n",
"\n",
"physical_space = SU2Space(1 => 1)\n",
"virtual_space = SU2Space(0 => 12, 1 => 12, 2 => 5, 3 => 3)\n",
"ψ₀ = FiniteMPS(rand, ComplexF64, L, physical_space, virtual_space)\n",
"ψ₀ = FiniteMPS(L, physical_space, virtual_space)\n",
"ψ, envs, delta = find_groundstate(ψ₀, H, DMRG(; verbosity=0))\n",
"E₀ = real(expectation_value(ψ, H))\n",
"En_1, st_1 = excitations(H, QuasiparticleAnsatz(), ψ, envs; sector=SU2Irrep(1))\n",
Expand Down Expand Up @@ -114,7 +119,8 @@
"Ls = 12:4:30\n",
"ΔEs = map(Ls) do L\n",
" @info \"computing L = $L\"\n",
" ψ₀ = FiniteMPS(rand, ComplexF64, L, physical_space, virtual_space)\n",
" ψ₀ = FiniteMPS(L, physical_space, virtual_space)\n",
" H = heisenberg_XXX(symmetry, FiniteChain(L); J, spin)\n",
" ψ, envs, delta = find_groundstate(ψ₀, H, DMRG(; verbosity=0))\n",
" En_1, st_1 = excitations(H, QuasiparticleAnsatz(), ψ, envs; sector=SU2Irrep(1))\n",
" En_2, st_2 = excitations(H, QuasiparticleAnsatz(), ψ, envs; sector=SU2Irrep(2))\n",
Expand Down Expand Up @@ -149,6 +155,8 @@
"outputs": [],
"cell_type": "code",
"source": [
"chain = InfiniteChain(1)\n",
"H = heisenberg_XXX(symmetry, chain; J, spin)\n",
"virtual_space_inf = Rep[SU₂](1 // 2 => 16, 3 // 2 => 16, 5 // 2 => 8, 7 // 2 => 4)\n",
"ψ₀_inf = InfiniteMPS([physical_space], [virtual_space_inf])\n",
"ψ_inf, envs_inf, delta_inf = find_groundstate(ψ₀_inf, H; verbosity=0)\n",
Expand Down Expand Up @@ -179,11 +187,11 @@
"file_extension": ".jl",
"mimetype": "application/julia",
"name": "julia",
"version": "1.11.1"
"version": "1.11.2"
},
"kernelspec": {
"name": "julia-1.11",
"display_name": "Julia 1.11.1",
"display_name": "Julia 1.11.2",
"language": "julia"
}
},
Expand Down
57 changes: 25 additions & 32 deletions docs/src/examples/quantum1d/3.ising-dqpt/index.md
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Expand Up @@ -32,22 +32,21 @@ For those ``g`` we expect non-analicities to occur at ``t_n ≈ 2.35 (n + 1/2)``
First we construct the hamiltonian in mpo form, and obtain the pre-quenched groundstate:

````julia
H₀ = transverse_field_ising(; g=-0.5)

L = 20
ψ₀ = FiniteMPS(rand, ComplexF64, L, ℂ^2, ℂ^10)
H₀ = transverse_field_ising(FiniteChain(L); g=-0.5)
ψ₀ = FiniteMPS(L, ℂ^2, ℂ^10)
ψ₀, _ = find_groundstate(ψ₀, H₀, DMRG());
````

````
[ Info: DMRG init: obj = +9.799964091770e+00 err = 1.5223e-01
[ Info: DMRG 1: obj = -2.040021714743e+01 err = 2.4038839149e-02 time = 0.09 sec
[ Info: DMRG 2: obj = -2.040021715170e+01 err = 6.0313575856e-07 time = 0.07 sec
[ Info: DMRG 3: obj = -2.040021773534e+01 err = 1.6799456960e-05 time = 0.14 sec
[ Info: DMRG 4: obj = -2.040021786694e+01 err = 1.9058246307e-06 time = 0.09 sec
[ Info: DMRG 5: obj = -2.040021786703e+01 err = 1.1474711603e-06 time = 0.05 sec
[ Info: DMRG 6: obj = -2.040021786703e+01 err = 4.3837579221e-10 time = 0.02 sec
[ Info: DMRG conv 7: obj = -2.040021786703e+01 err = 1.9834477158e-11 time = 0.50 sec
[ Info: DMRG init: obj = +1.002387808585e+01 err = 1.4432e-01
[ Info: DMRG 1: obj = -2.040021714927e+01 err = 4.0939235067e-03 time = 0.07 sec
[ Info: DMRG 2: obj = -2.040021715177e+01 err = 4.1045749328e-07 time = 0.02 sec
[ Info: DMRG 3: obj = -2.040021782419e+01 err = 4.0893119931e-05 time = 0.11 sec
[ Info: DMRG 4: obj = -2.040021786700e+01 err = 1.5231059570e-06 time = 0.12 sec
[ Info: DMRG 5: obj = -2.040021786703e+01 err = 1.1927466419e-07 time = 0.04 sec
[ Info: DMRG 6: obj = -2.040021786703e+01 err = 1.0958548921e-10 time = 0.02 sec
[ Info: DMRG conv 7: obj = -2.040021786703e+01 err = 2.1531775493e-12 time = 0.43 sec
````

Expand All @@ -63,7 +62,7 @@ echo(ψ₀::FiniteMPS, ψₜ::FiniteMPS) = -2 * log(abs(dot(ψ₀, ψₜ))) / le
We will initially use a two-site TDVP scheme to dynamically increase the bond dimension while time evolving, and later on switch to a faster one-site scheme. A single timestep can be done using

````julia
H₁ = transverse_field_ising(; g=-2.0)
H₁ = transverse_field_ising(FiniteChain(L); g=-2.0)
ψₜ = deepcopy(ψ₀)
dt = 0.01
ψₜ, envs = timestep(ψₜ, H₁, 0, dt, TDVP2(; trscheme=truncdim(20)));
Expand All @@ -75,9 +74,11 @@ Putting it all together, we get

````julia
function finite_sim(L; dt=0.05, finaltime=5.0)
ψ₀ = FiniteMPS(rand, ComplexF64, L, ℂ^2, ℂ^10)
ψ₀ = FiniteMPS(L, ℂ^2, ℂ^10)
H₀= transverse_field_ising(FiniteChain(L); g=-0.5)
ψ₀, _ = find_groundstate(ψ₀, H₀, DMRG())

H₁ = transverse_field_ising(FiniteChain(L); g=-2.0)
ψₜ = deepcopy(ψ₀)
envs = environments(ψₜ, H₁)

Expand Down Expand Up @@ -106,27 +107,18 @@ Similarly we could start with an initial infinite state and find the pre-quench

````julia
ψ₀ = InfiniteMPS([ℂ^2], [ℂ^10])
H₀ = transverse_field_ising(; g=-0.5)
ψ₀, _ = find_groundstate(ψ₀, H₀, VUMPS());
````

````
[ Info: VUMPS init: obj = +5.000419382862e-01 err = 3.8507e-01
[ Info: VUMPS 1: obj = -1.062780898337e+00 err = 2.4151374798e-02 time = 1.31 sec
┌ Warning: ignoring imaginary component -3.817802691569172e-6 from total weight 2.4343214394239743: operator might not be hermitian?
│ α = 1.7081089443203243 - 3.817802691569172e-6im
│ β₁ = 0.14004438155194618
│ β₂ = 1.7287776826281838
└ @ KrylovKit ~/.julia/packages/KrylovKit/xccMN/src/factorizations/lanczos.jl:170
┌ Warning: ignoring imaginary component -4.33258309393697e-6 from total weight 3.290563788912538: operator might not be hermitian?
│ α = 2.784222669687663 - 4.33258309393697e-6im
│ β₁ = 0.13141322180957496
│ β₂ = 1.7488981501547187
└ @ KrylovKit ~/.julia/packages/KrylovKit/xccMN/src/factorizations/lanczos.jl:170
[ Info: VUMPS 2: obj = -1.063544409753e+00 err = 1.4337063091e-05 time = 0.08 sec
[ Info: VUMPS 3: obj = -1.063544409973e+00 err = 1.7048015038e-07 time = 0.01 sec
[ Info: VUMPS 4: obj = -1.063544409973e+00 err = 1.7183182449e-08 time = 0.01 sec
[ Info: VUMPS 5: obj = -1.063544409973e+00 err = 5.8865202016e-10 time = 0.01 sec
[ Info: VUMPS conv 6: obj = -1.063544409973e+00 err = 6.8020365686e-11 time = 1.42 sec
[ Info: VUMPS init: obj = +4.829091166942e-01 err = 3.8333e-01
[ Info: VUMPS 1: obj = -1.062402142520e+00 err = 2.6498065851e-02 time = 0.02 sec
[ Info: VUMPS 2: obj = -1.063544409278e+00 err = 2.4370573433e-05 time = 0.01 sec
[ Info: VUMPS 3: obj = -1.063544409973e+00 err = 1.2541001144e-07 time = 0.01 sec
[ Info: VUMPS 4: obj = -1.063544409973e+00 err = 2.2271390880e-09 time = 0.01 sec
[ Info: VUMPS 5: obj = -1.063544409973e+00 err = 1.3003499540e-10 time = 0.01 sec
[ Info: VUMPS conv 6: obj = -1.063544409973e+00 err = 1.2478380148e-11 time = 0.08 sec
````

Expand All @@ -138,7 +130,7 @@ dot(ψ₀, ψ₀)
````

````
1.0000000000000018 - 7.06078012856404e-16im
1.0000000000000004 + 1.6174779448250835e-16im
````

so the loschmidth echo takes on the pleasant form
Expand All @@ -155,6 +147,7 @@ Growing the bond dimension by ``5`` can be done by calling:

````julia
ψₜ = deepcopy(ψ₀)
H₁ = transverse_field_ising(; g=-2.0)
ψₜ, envs = changebonds(ψₜ, H₁, OptimalExpand(; trscheme=truncdim(5)));
````

Expand Down Expand Up @@ -183,7 +176,7 @@ function infinite_sim(dt=0.05, finaltime=5.0)
if t < 50dt # if t is sufficiently small, we increase the bond dimension
ψₜ, envs = changebonds(ψₜ, H₁, OptimalExpand(; trscheme=truncdim(1)), envs)
end
(ψₜ, envs) = timestep(ψₜ, H₁, 0, dt, TDVP(), envs)
ψₜ, envs = timestep(ψₜ, H₁, 0, dt, TDVP(), envs)
push!(echos, echo(ψₜ, ψ₀))
end

Expand Down
19 changes: 11 additions & 8 deletions docs/src/examples/quantum1d/3.ising-dqpt/main.ipynb
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Expand Up @@ -44,10 +44,9 @@
"outputs": [],
"cell_type": "code",
"source": [
"H₀ = transverse_field_ising(; g=-0.5)\n",
"\n",
"L = 20\n",
"ψ₀ = FiniteMPS(rand, ComplexF64, L, ℂ^2, ℂ^10)\n",
"H₀ = transverse_field_ising(FiniteChain(L); g=-0.5)\n",
"ψ₀ = FiniteMPS(L, ℂ^2, ℂ^10)\n",
"ψ₀, _ = find_groundstate(ψ₀, H₀, DMRG());"
],
"metadata": {},
Expand Down Expand Up @@ -83,7 +82,7 @@
"outputs": [],
"cell_type": "code",
"source": [
"H₁ = transverse_field_ising(; g=-2.0)\n",
"H₁ = transverse_field_ising(FiniteChain(L); g=-2.0)\n",
"ψₜ = deepcopy(ψ₀)\n",
"dt = 0.01\n",
"ψₜ, envs = timestep(ψₜ, H₁, 0, dt, TDVP2(; trscheme=truncdim(20)));"
Expand All @@ -105,9 +104,11 @@
"cell_type": "code",
"source": [
"function finite_sim(L; dt=0.05, finaltime=5.0)\n",
" ψ₀ = FiniteMPS(rand, ComplexF64, L, ℂ^2, ℂ^10)\n",
" ψ₀ = FiniteMPS(L, ℂ^2, ℂ^10)\n",
" H₀= transverse_field_ising(FiniteChain(L); g=-0.5)\n",
" ψ₀, _ = find_groundstate(ψ₀, H₀, DMRG())\n",
"\n",
" H₁ = transverse_field_ising(FiniteChain(L); g=-2.0)\n",
" ψₜ = deepcopy(ψ₀)\n",
" envs = environments(ψₜ, H₁)\n",
"\n",
Expand Down Expand Up @@ -147,6 +148,7 @@
"cell_type": "code",
"source": [
"ψ₀ = InfiniteMPS([ℂ^2], [ℂ^10])\n",
"H₀ = transverse_field_ising(; g=-0.5)\n",
"ψ₀, _ = find_groundstate(ψ₀, H₀, VUMPS());"
],
"metadata": {},
Expand Down Expand Up @@ -201,6 +203,7 @@
"cell_type": "code",
"source": [
"ψₜ = deepcopy(ψ₀)\n",
"H₁ = transverse_field_ising(; g=-2.0)\n",
"ψₜ, envs = changebonds(ψₜ, H₁, OptimalExpand(; trscheme=truncdim(5)));"
],
"metadata": {},
Expand Down Expand Up @@ -249,7 +252,7 @@
" if t < 50dt # if t is sufficiently small, we increase the bond dimension\n",
" ψₜ, envs = changebonds(ψₜ, H₁, OptimalExpand(; trscheme=truncdim(1)), envs)\n",
" end\n",
" (ψₜ, envs) = timestep(ψₜ, H₁, 0, dt, TDVP(), envs)\n",
" ψₜ, envs = timestep(ψₜ, H₁, 0, dt, TDVP(), envs)\n",
" push!(echos, echo(ψₜ, ψ₀))\n",
" end\n",
"\n",
Expand Down Expand Up @@ -282,11 +285,11 @@
"file_extension": ".jl",
"mimetype": "application/julia",
"name": "julia",
"version": "1.11.1"
"version": "1.11.2"
},
"kernelspec": {
"name": "julia-1.11",
"display_name": "Julia 1.11.1",
"display_name": "Julia 1.11.2",
"language": "julia"
}
},
Expand Down
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