Move many MPS related autofermion tests to LegacyMPS

ITensor · Sep 23, 2023 · 9da26e3 · 9da26e3
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diff --git a/test/ITensorLegacyMPS/base/test_autompo.jl b/test/ITensorLegacyMPS/base/test_autompo.jl
@@ -937,67 +937,75 @@ end
   end
 
   @testset "Chemical Hamiltonian Test" begin
-    N = 6
-    t = randn(N, N)
-    V = randn(N, N, N, N)
-    s = siteinds("Electron", N; conserve_qns=true)
-
-    ost = OpSum()
-    for i in 1:N, j in 1:N
-      ost += t[i, j], "Cdagup", i, "Cup", j
-      ost += t[i, j], "Cdagdn", i, "Cdn", j
-    end
-    Ht = MPO(ost, s)
-
-    osV = OpSum()
-    for i in 1:N, j in 1:N, k in 1:N, l in 1:N
-      osV += V[i, j, k, l], "Cdagup", i, "Cdagup", j, "Cup", k, "Cup", l
-      osV += V[i, j, k, l], "Cdagup", i, "Cdagdn", j, "Cdn", k, "Cup", l
-      osV += V[i, j, k, l], "Cdagdn", i, "Cdagup", j, "Cup", k, "Cdn", l
-      osV += V[i, j, k, l], "Cdagdn", i, "Cdagdn", j, "Cdn", k, "Cdn", l
-    end
-    HV = MPO(osV, s)
-
-    for i in 1:N, j in 1:N
-      stᵢ = fill("0", N)
-      stⱼ = fill("0", N)
-      stᵢ[i] = "Up"
-      stⱼ[j] = "Up"
-      psiᵢ = MPS(s, stᵢ)
-      psiⱼ = MPS(s, stⱼ)
-      @test abs(inner(psiᵢ', Ht, psiⱼ) - t[i, j]) < 1E-10
-    end
+    for auto_fermion in [false, true]
+      if auto_fermion
+        ITensors.enable_auto_fermion()
+      else
+        ITensors.disable_auto_fermion()
+      end
+      N = 6
+      t = randn(N, N)
+      V = randn(N, N, N, N)
+      s = siteinds("Electron", N; conserve_qns=true)
+
+      ost = OpSum()
+      for i in 1:N, j in 1:N
+        ost += t[i, j], "Cdagup", i, "Cup", j
+        ost += t[i, j], "Cdagdn", i, "Cdn", j
+      end
+      Ht = MPO(ost, s)
+
+      osV = OpSum()
+      for i in 1:N, j in 1:N, k in 1:N, l in 1:N
+        osV += V[i, j, k, l], "Cdagup", i, "Cdagup", j, "Cup", k, "Cup", l
+        osV += V[i, j, k, l], "Cdagup", i, "Cdagdn", j, "Cdn", k, "Cup", l
+        osV += V[i, j, k, l], "Cdagdn", i, "Cdagup", j, "Cup", k, "Cdn", l
+        osV += V[i, j, k, l], "Cdagdn", i, "Cdagdn", j, "Cdn", k, "Cdn", l
+      end
+      HV = MPO(osV, s)
+
+      for i in 1:N, j in 1:N
+        stᵢ = fill("0", N)
+        stⱼ = fill("0", N)
+        stᵢ[i] = "Up"
+        stⱼ[j] = "Up"
+        psiᵢ = MPS(s, stᵢ)
+        psiⱼ = MPS(s, stⱼ)
+        @test abs(inner(psiᵢ', Ht, psiⱼ) - t[i, j]) < 1E-10
+      end
 
-    for i in 1:N, j in 1:N, k in 1:N, l in 1:N
-      ((i == j) || (k == l)) && continue
-
-      stᵢⱼ = fill("0", N)
-      stᵢⱼ[i] = "Up"
-      stᵢⱼ[j] = "Up"
-      psiᵢⱼ = MPS(s, stᵢⱼ)
-
-      stₖₗ = fill("0", N)
-      stₖₗ[k] = "Up"
-      stₖₗ[l] = "Up"
-      psiₖₗ = MPS(s, stₖₗ)
-
-      mpo_val = inner(psiᵢⱼ', HV, psiₖₗ)
-      exact_val = 0.0
-      for m in 1:N, n in 1:N, p in 1:N, q in 1:N
-        if m == i && n == j && p == l && q == k
-          exact_val += V[i, j, l, k]
-        elseif m == i && n == j && p == k && q == l
-          exact_val += -V[i, j, k, l]
-        elseif m == j && n == i && p == l && q == k
-          exact_val += -V[j, i, l, k]
-        elseif m == j && n == i && p == k && q == l
-          exact_val += V[j, i, k, l]
+      for i in 1:N, j in 1:N, k in 1:N, l in 1:N
+        ((i == j) || (k == l)) && continue
+
+        stᵢⱼ = fill("0", N)
+        stᵢⱼ[i] = "Up"
+        stᵢⱼ[j] = "Up"
+        psiᵢⱼ = MPS(s, stᵢⱼ)
+
+        stₖₗ = fill("0", N)
+        stₖₗ[k] = "Up"
+        stₖₗ[l] = "Up"
+        psiₖₗ = MPS(s, stₖₗ)
+
+        mpo_val = inner(psiᵢⱼ', HV, psiₖₗ)
+        exact_val = 0.0
+        for m in 1:N, n in 1:N, p in 1:N, q in 1:N
+          if m == i && n == j && p == l && q == k
+            exact_val += V[i, j, l, k]
+          elseif m == i && n == j && p == k && q == l
+            exact_val += -V[i, j, k, l]
+          elseif m == j && n == i && p == l && q == k
+            exact_val += -V[j, i, l, k]
+          elseif m == j && n == i && p == k && q == l
+            exact_val += V[j, i, k, l]
+          end
         end
+        (k > l) && (exact_val *= -1)
+        (i > j) && (exact_val *= -1)
+        @test abs(mpo_val - exact_val) < 1E-10
       end
-      (k > l) && (exact_val *= -1)
-      (i > j) && (exact_val *= -1)
-      @test abs(mpo_val - exact_val) < 1E-10
     end
+    ITensors.disable_auto_fermion()
   end
 
   @testset "Complex OpSum Coefs" begin