[Docs] Fix entanglement entropy example (#1369)

ITensorGPU/examples/dmrg.jl

@@ -2,25 +2,23 @@ using ITensors
 using ITensorGPU
 
 # Set to identity to run on CPU
-gpu = cu
+device = cu
 
 N = 50
 sites = siteinds("S=1", N)
 
-ampo = AutoMPO()
+opsum = OpSum()
 for j in 1:(N - 1)
-  ampo .+= 0.5, "S+", j, "S-", j + 1
-  ampo .+= 0.5, "S-", j, "S+", j + 1
-  ampo .+= "Sz", j, "Sz", j + 1
+  opsum .+= 0.5, "S+", j, "S-", j + 1
+  opsum .+= 0.5, "S-", j, "S+", j + 1
+  opsum .+= "Sz", j, "Sz", j + 1
 end
-H = gpu(MPO(ampo, sites))
+H = device(MPO(opsum, sites))
 
-ψ₀ = gpu(randomMPS(sites))
+ψ₀ = device(randomMPS(sites))
 
-sweeps = Sweeps(6)
-maxdim!(sweeps, 10, 20, 40, 100)
-mindim!(sweeps, 1, 10)
-cutoff!(sweeps, 1e-11)
-noise!(sweeps, 1e-10)
-energy, ψ = @time dmrg(H, ψ₀, sweeps)
+dmrg_kwargs = (;
+  nsweeps=6, maxdim=[10, 20, 40, 100], mindim=[1, 10], cutoff=1e-11, noise=1e-10
+)
+energy, ψ = @time dmrg(H, ψ₀; dmrg_kwargs...)
 @show energy

ITensorGPU/test/test_dmrg.jl

@@ -34,13 +34,13 @@ end
     N = 10
     sites = siteinds("S=1",N; conserve_qns=true)
 
-    ampo = AutoMPO()
+    opsum = OpSum()
     for j=1:N-1
-      add!(ampo,"Sz",j,"Sz",j+1)
-      add!(ampo,0.5,"S+",j,"S-",j+1)
-      add!(ampo,0.5,"S-",j,"S+",j+1)
+      add!(opsum,"Sz",j,"Sz",j+1)
+      add!(opsum,0.5,"S+",j,"S-",j+1)
+      add!(opsum,0.5,"S-",j,"S+",j+1)
     end
-    H = cuMPO(MPO(ampo,sites))
+    H = cuMPO(MPO(opsum,sites))
 
     state = [isodd(n) ? "Up" : "Dn" for n in 1:N]
     psi = randomCuMPS(sites,state,4)
@@ -63,12 +63,12 @@ end
     Random.seed!(432)
     psi0 = randomCuMPS(sites)
 
-    ampo = AutoMPO()
+    opsum = OpSum()
     for j in 1:N
-      j < N && add!(ampo, -1.0, "Sz", j, "Sz", j + 1)
-      add!(ampo, -0.5, "Sx", j)
+      j < N && add!(opsum, -1.0, "Sz", j, "Sz", j + 1)
+      add!(opsum, -0.5, "Sx", j)
     end
-    H = cuMPO(MPO(ampo, sites))
+    H = cuMPO(MPO(opsum, sites))
 
     sweeps = Sweeps(5)
     maxdim!(sweeps, 10, 20)
@@ -104,14 +104,14 @@ end
     Random.seed!(42)
     psi0 = randomCuMPS(sites)
 
-    ampo = AutoMPO()
+    opsum = OpSum()
     for j = 1:N-1
-      add!(ampo,-1.0,"Sz",j,"Sz",j+1)
+      add!(opsum,-1.0,"Sz",j,"Sz",j+1)
     end
     for j = 1:N
-      add!(ampo,-0.2,"Sx",j)
+      add!(opsum,-0.2,"Sx",j)
     end
-    H = cuMPO(MPO(ampo,sites))
+    H = cuMPO(MPO(opsum,sites))
 
     sweeps = Sweeps(3)
     maxdim!(sweeps,10)
@@ -138,18 +138,18 @@ end
     N = 10
     sites = siteinds("S=1",N)
 
-    ampoZ = AutoMPO()
+    ampoZ = OpSum()
     for j=1:N-1
-      add!(ampoZ,"Sz",j,"Sz",j+1)
+      add!(opsumZ,"Sz",j,"Sz",j+1)
     end
-    HZ = MPO(ampoZ,sites)
+    HZ = MPO(opsumZ,sites)
 
-    ampoXY = AutoMPO()
+    ampoXY = OpSum()
     for j=1:N-1
-      add!(ampoXY,0.5,"S+",j,"S-",j+1)
-      add!(ampoXY,0.5,"S-",j,"S+",j+1)
+      add!(opsumXY,0.5,"S+",j,"S-",j+1)
+      add!(opsumXY,0.5,"S-",j,"S+",j+1)
     end
-    HXY = MPO(ampoXY,sites)
+    HXY = MPO(opsumXY,sites)
 
     psi = randomMPS(sites)
 
@@ -170,13 +170,13 @@ end
     sites[1] = Index(2,"S=1/2,n=1,Site")
     sites[N] = Index(2,"S=1/2,n=$N,Site")
 
-    ampo = AutoMPO()
+    opsum = OpSum()
     for j=1:N-1
-      add!(ampo,"Sz",j,"Sz",j+1)
-      add!(ampo,0.5,"S+",j,"S-",j+1)
-      add!(ampo,0.5,"S-",j,"S+",j+1)
+      add!(opsum,"Sz",j,"Sz",j+1)
+      add!(opsum,0.5,"S+",j,"S-",j+1)
+      add!(opsum,0.5,"S-",j,"S+",j+1)
     end
-    H = cuMPO(MPO(ampo,sites))
+    H = cuMPO(MPO(opsum,sites))
 
     psi0i = randomCuMPS(sites,10)
 
@@ -211,17 +211,17 @@ end
     state[7] = 2
     psi0 = productMPS(s,state)
 
-    ampo = AutoMPO()
+    opsum = OpSum()
     for j=1:N-1
-      ampo += (-t1, "Cdag", j,   "C", j+1)
-      ampo += (-t1, "Cdag", j+1, "C", j)
-      ampo += (  V, "N",    j,   "N", j+1)
+      opsum += (-t1, "Cdag", j,   "C", j+1)
+      opsum += (-t1, "Cdag", j+1, "C", j)
+      opsum += (  V, "N",    j,   "N", j+1)
     end
     for j=1:N-2
-      ampo += (-t2, "Cdag", j,   "C", j+2)
-      ampo += (-t2, "Cdag", j+2, "C", j)
+      opsum += (-t2, "Cdag", j,   "C", j+2)
+      opsum += (-t2, "Cdag", j+2, "C", j)
     end
-    H = MPO(ampo, s)
+    H = MPO(opsum, s)
 
     sweeps = Sweeps(5)
     maxdim!(sweeps, 10, 20, 100, 100, 200)

ITensorGaussianMPS/README.md

@@ -67,16 +67,10 @@ println("\nRandom state starting energy")
 @show inner(ψr, H, ψr)
 
 println("\nRun dmrg with random starting state")
-sweeps = Sweeps(10)
-setmaxdim!(sweeps,10,20,40,60)
-setcutoff!(sweeps,1E-12)
-@time dmrg(H, ψr, sweeps)
+@time dmrg(H, ψr; nsweeps=10, maxdim=[10, 20, 40, 60], cutoff=1e-12)
 
 println("\nRun dmrg with free fermion starting state")
-sweeps = Sweeps(4)
-setmaxdim!(sweeps,60)
-setcutoff!(sweeps,1E-12)
-@time dmrg(H, ψ0, sweeps)
+@time dmrg(H, ψ0; nsweeps=4, maxdim=60, cutoff=1e-12)
 ```
 This will output something like:
 ```julia

ITensorGaussianMPS/examples/Project.toml

@@ -0,0 +1,3 @@
+[deps]
+ITensorGaussianMPS = "2be41995-7c9f-4653-b682-bfa4e7cebb93"
+ITensors = "9136182c-28ba-11e9-034c-db9fb085ebd5"

ITensorGaussianMPS/examples/hubbard_1d_no_spin_conservation.jl → ITensorGaussianMPS/examples/broken/hubbard_1d_no_spin_conservation.jl

@@ -69,22 +69,16 @@ H = MPO(os, s)
 
 println("Random starting state energy")
 @show flux(ψr)
-@show inner(ψr, H, ψr)
+@show inner(ψr', H, ψr)
 println()
 println("Free fermion starting state energy")
 @show flux(ψ0)
-@show inner(ψ0, H, ψ0)
+@show inner(ψ0', H, ψ0)
 
 println("\nStart from product state")
-sweeps = Sweeps(10)
-setmaxdim!(sweeps, 10, 20, _maxlinkdim)
-setcutoff!(sweeps, _cutoff)
-@time dmrg(H, ψr, sweeps)
+@time dmrg(H, ψr; nsweeps=10, maxdim=[10, 20, _maxlinkdim], cutoff=_cutoff)
 
 println("\nStart from free fermion state")
-sweeps = Sweeps(5)
-setmaxdim!(sweeps, _maxlinkdim)
-setcutoff!(sweeps, _cutoff)
-@time dmrg(H, ψ0, sweeps)
+@time dmrg(H, ψ0; nsweeps=5, maxdim=_maxlinkdim, cutoff=_cutoff)
 
 nothing

ITensorGaussianMPS/examples/hubbard_2d_no_spin_conservation.jl → ITensorGaussianMPS/examples/broken/hubbard_2d_no_spin_conservation.jl

@@ -82,16 +82,15 @@ println("\nFree fermion MPS starting state energy")
 @show inner(ψ0, H, ψ0)
 
 println("\nStart from random product state")
-sweeps = Sweeps(10)
-setmaxdim!(sweeps, 10, 20, 100, 200, _maxlinkdim)
-setcutoff!(sweeps, _cutoff)
-setnoise!(sweeps, 1e-7, 1e-8, 1e-10, 0.0)
-@time dmrg(H, ψr, sweeps)
+dmrg_kwargs = (;
+  nsweeps=10,
+  maxdim=[10, 20, 100, 200, _maxlinkdim],
+  cutoff=_cutoff,
+  noise=[1e-7, 1e-8, 1e-10, 0.0],
+)
+@time dmrg(H, ψr; dmrg_kwargs...)
 
 println("\nStart from free fermion state")
-sweeps = Sweeps(10)
-setmaxdim!(sweeps, _maxlinkdim)
-setcutoff!(sweeps, _cutoff)
-@time dmrg(H, ψ0, sweeps)
+@time dmrg(H, ψ0; nsweeps=10, maxdim=_maxlinkdim, cutoff=_cutoff)
 
 nothing

ITensorGaussianMPS/examples/hubbard_1d_spin_conservation.jl

@@ -68,7 +68,7 @@ for n in 1:(N - 1)
 end
 
 H_noninteracting = MPO(os_noninteracting, s)
-@show inner(ψ0, H_noninteracting, ψ0)
+@show inner(ψ0', H_noninteracting, ψ0)
 @show sum(diag(Φ_up' * h_up * Φ_up)) + sum(diag(Φ_dn' * h_dn * Φ_dn))
 
 # The total interacting Hamiltonian
@@ -90,25 +90,19 @@ H = MPO(os_interacting, s)
 
 println("Random starting state energy")
 @show flux(ψr)
-@show inner(ψr, H, ψr)
+@show inner(ψr', H, ψr)
 println()
 println("Free fermion starting state energy")
 @show flux(ψ0)
-@show inner(ψ0, H, ψ0)
+@show inner(ψ0', H, ψ0)
 
 println("\nStart from random product state")
-sweeps = Sweeps(10)
-setmaxdim!(sweeps, 10, 20, _maxlinkdim)
-setcutoff!(sweeps, _cutoff)
-er, ψ̃r = @time dmrg(H, ψr, sweeps)
+er, ψ̃r = @time dmrg(H, ψr; nsweeps=10, maxdim=[10, 20, _maxlinkdim], cutoff=_cutoff)
 @show er
 @show flux(ψ̃r)
 
 println("\nStart from free fermion state")
-sweeps = Sweeps(5)
-setmaxdim!(sweeps, _maxlinkdim)
-setcutoff!(sweeps, _cutoff)
-e0, ψ̃0 = @time dmrg(H, ψ0, sweeps)
+e0, ψ̃0 = @time dmrg(H, ψ0; nsweeps=5, maxdim=_maxlinkdim, cutoff=_cutoff)
 @show e0
 @show flux(ψ̃0)
 

ITensorGaussianMPS/examples/hubbard_2d_spin_conservation.jl

@@ -85,23 +85,22 @@ H = MPO(os, s)
 
 println("\nRandom starting state energy")
 @show flux(ψr)
-@show inner(ψr, H, ψr)
+@show inner(ψr', H, ψr)
 
 println("\nFree fermion MPS starting state energy")
 @show flux(ψ0)
-@show inner(ψ0, H, ψ0)
+@show inner(ψ0', H, ψ0)
 
 println("\nStart from random product state")
-sweeps = Sweeps(10)
-setmaxdim!(sweeps, 10, 20, 100, 200, _maxlinkdim)
-setcutoff!(sweeps, _cutoff)
-setnoise!(sweeps, 1e-7, 1e-8, 1e-10, 0.0)
-@time dmrg(H, ψr, sweeps)
+dmrg_kwargs = (;
+  nsweeps=10,
+  maxdim=[10, 20, 100, 200, _maxlinkdim],
+  cutoff=_cutoff,
+  noise=[1e-7, 1e-8, 1e-10, 0.0],
+)
+@time dmrg(H, ψr; dmrg_kwargs...)
 
 println("\nStart from free fermion state")
-sweeps = Sweeps(10)
-setmaxdim!(sweeps, _maxlinkdim)
-setcutoff!(sweeps, _cutoff)
-@time dmrg(H, ψ0, sweeps)
+@time dmrg(H, ψ0; nsweeps=10, maxdim=_maxlinkdim, cutoff=_cutoff)
 
 nothing

ITensorGaussianMPS/examples/mps_to_determinants.jl

@@ -65,13 +65,10 @@ H = MPO(os, s)
 
 println("Free fermion starting state energy")
 @show flux(ψ0)
-@show inner(ψ0, H, ψ0)
+@show inner(ψ0', H, ψ0)
 
 println("\nStart from free fermion state")
-sweeps = Sweeps(5)
-setmaxdim!(sweeps, _maxlinkdim)
-setcutoff!(sweeps, _cutoff)
-e, ψ = @time dmrg(H, ψ0, sweeps)
+e, ψ = @time dmrg(H, ψ0; nsweeps=5, maxdim=_maxlinkdim, cutoff=_cutoff)
 @show e
 @show flux(ψ)
 
@@ -81,4 +78,4 @@ using ITensorGaussianMPS: correlation_matrix_to_gmps, correlation_matrix_to_mps,
 Λ_dn = correlation_matrix(ψ, "Cdagdn", "Cdn")
 ψ̃0 = correlation_matrix_to_mps(s, Λ_up, Λ_dn; eigval_cutoff=1e-2, maxblocksize=4)
 @show inner(ψ̃0, ψ)
-@show inner(ψ̃0, H, ψ̃0)
+@show inner(ψ̃0', H, ψ̃0)

ITensorGaussianMPS/examples/spinless_fermion.jl

@@ -56,22 +56,16 @@ H = MPO(os, s)
 
 println("\nRandom state starting energy")
 @show flux(ψr)
-@show inner(ψr, H, ψr)
+@show inner(ψr', H, ψr)
 
 println("\nFree fermion starting energy")
 @show flux(ψ0)
-@show inner(ψ0, H, ψ0)
+@show inner(ψ0', H, ψ0)
 
 println("\nRun dmrg with random starting state")
-sweeps = Sweeps(20)
-setmaxdim!(sweeps, 10, 20, 40, _maxlinkdim)
-setcutoff!(sweeps, _cutoff)
-@time dmrg(H, ψr, sweeps)
+@time dmrg(H, ψr; nsweeps=20, maxdim=[10, 20, 40, _maxlinkdim], cutoff=_cutoff)
 
 println("\nRun dmrg with free fermion starting state")
-sweeps = Sweeps(4)
-setmaxdim!(sweeps, _maxlinkdim)
-setcutoff!(sweeps, _cutoff)
-@time dmrg(H, ψ0, sweeps)
+@time dmrg(H, ψ0; nsweeps=4, maxdim=_maxlinkdim, cutoff=_cutoff)
 
 nothing

ITensorGaussianMPS/examples/spinless_fermion_pairing.jl

@@ -67,19 +67,16 @@ let
 
   println("\nFree fermion starting energy")
   @show flux(psi)
-  @show inner(psi, H, psi)
+  @show inner(psi', H, psi)
   println("\nRun dmrg with GMPS starting state")
-  sweeps = Sweeps(12)
-  setmaxdim!(sweeps, 10, 20, 40, _maxlinkdim)
-  setcutoff!(sweeps, _cutoff)
-  _, psidmrg = dmrg(H, psi, sweeps)
+  _, psidmrg = dmrg(H, psi; nsweeps=12, maxdim=[10, 20, 40, _maxlinkdim], cutoff=_cutoff)
   cdagc_dmrg = correlation_matrix(psidmrg, "C", "Cdag")
   cc_dmrg = correlation_matrix(psidmrg, "C", "C")
 
   @show norm(cdagc_dmrg - cdagc)
   @show norm(cc_dmrg - cc)
 
-  @show inner(psidmrg, H, psidmrg)
+  @show inner(psidmrg', H, psidmrg)
   @show(abs(inner(psidmrg, psi)))
 
   #return

ITensorUnicodePlots/examples/ex_qn_mps.jl

@@ -3,7 +3,7 @@ using ITensorUnicodePlots
 
 s = siteinds("S=1/2", 5; conserve_qns=true)
 ψ = randomMPS(s, n -> isodd(n) ? "↑" : "↓"; linkdims=2)
-orthogonalize!(ψ, 2)
+ψ = orthogonalize(ψ, 2)
 ψdag = prime(linkinds, dag(ψ))
 tn = [ψ..., ψdag...]