From 14e40273c96f03cc2e5355c07b94a6600626d169 Mon Sep 17 00:00:00 2001
From: ysyapa <ysyapa@ncsu.edu>
Date: Thu, 31 Aug 2023 23:34:05 +0000
Subject: [PATCH] Two operators for 1st and 2nd time (incorrect)

---
 Hamiltonian.jl |  7 ++++---
 irrep.jl       | 29 +++++++++++++++++++----------
 2 files changed, 23 insertions(+), 13 deletions(-)

diff --git a/Hamiltonian.jl b/Hamiltonian.jl
index 68547dc..8d23a73 100644
--- a/Hamiltonian.jl
+++ b/Hamiltonian.jl
@@ -10,6 +10,7 @@ struct Hamiltonian{T}
     K_diag::Union{CuTensor{Complex{T}},Nothing}
     K_mixed::Union{CuTensor{Complex{T}},Nothing}
     K_partial_1::Union{Tuple,Nothing}
+    K_partial_2::Union{Tuple,Nothing}
     Vs::Union{Array{Complex{T}},CuArray{Complex{T}}}
     hermitian::Bool
     mode::Hamiltonian_backend
@@ -19,7 +20,7 @@ struct Hamiltonian{T}
         k = -s.N÷2:s.N÷2-1
         hermitian = ϕ == 0.0
         K_partial = (exp(-im * convert(T, ϕ)) * im / sqrt(2 * s.μ)) .* ∂_1DOF.(Ref(s), k, k')
-        K_partial_1 = sym_reduce(s, K_partial)
+        K_partial_1, K_partial_2 = sym_reduce(s, K_partial)
         Vs = calculate_Vs(s, V_twobody, convert(T, ϕ), n_image)
         if mode == gpu_cutensor
             K_diag = CuTensor(CuArray(K_partial * K_partial), ['a', 'A'])
@@ -29,7 +30,7 @@ struct Hamiltonian{T}
             K_diag = nothing
             K_mixed = nothing    
         end
-        return new{T}(s, K_partial, K_diag, K_mixed, K_partial_1, Vs, hermitian, mode)
+        return new{T}(s, K_partial, K_diag, K_mixed, K_partial_1, K_partial_2, Vs, hermitian, mode)
     end
 end
 
@@ -62,7 +63,7 @@ function LinearAlgebra.mul!(out::Array{Complex{T}}, H::Hamiltonian{T}, v::Array{
                 nconList_v[i2] = 2
 
                 tensor1 = coord1 == 1 ? H.K_partial_1[dim] : H.K_partial
-                tensor2 = coord2 == 1 ? H.K_partial_1[dim] : H.K_partial
+                tensor2 = coord2 == 1 ? H.K_partial_2[dim] : H.K_partial
                 v_new = @ncon((tensor1, tensor2, v), (nconList_1, nconList_2, nconList_v))
                 
                 out = axpy!(1, v_new, out)
diff --git a/irrep.jl b/irrep.jl
index 0b0c1a8..3b45082 100644
--- a/irrep.jl
+++ b/irrep.jl
@@ -44,21 +44,30 @@ end
 
 function sym_reduce(s, K_partial)
     I = one(K_partial)
-    K_partial_x = kron(kron(K_partial, I), I)
-    K_partial_y = kron(kron(I, K_partial), I)
-    K_partial_z = kron(kron(I, I), K_partial)
+
+    K_partial_x1 = kron(kron(K_partial, I), I)
+    K_partial_y1 = kron(kron(I, K_partial), I)
+    K_partial_z1 = kron(kron(I, I), K_partial)
+
+    K_partial_x2 = kron(kron(K_partial, I), I)
+    K_partial_y2 = kron(kron(I, K_partial), I)
+    K_partial_z2 = kron(kron(I, I), K_partial)
 
     for (i, label) in enumerate(s.labels)
         if i != label
-            K_partial_x[:, i] += K_partial_x[:, label]
-            K_partial_y[:, i] += K_partial_y[:, label]
-            K_partial_z[:, i] += K_partial_z[:, label]
+            K_partial_x2[:, i] .+= K_partial_x2[:, label]
+            K_partial_y2[:, i] .+= K_partial_y2[:, label]
+            K_partial_z2[:, i] .+= K_partial_z2[:, label]
         end
     end
 
-    K_partial_x = K_partial_x[s.unique_i, s.unique_i]
-    K_partial_y = K_partial_y[s.unique_i, s.unique_i]
-    K_partial_z = K_partial_z[s.unique_i, s.unique_i]
+    K_partial_x1 = K_partial_x1[s.unique_i, :]
+    K_partial_y1 = K_partial_y1[s.unique_i, :]
+    K_partial_z1 = K_partial_z1[s.unique_i, :]
 
-    return K_partial_x, K_partial_y, K_partial_z
+    K_partial_x2 = K_partial_x2[:, s.unique_i]
+    K_partial_y2 = K_partial_y2[:, s.unique_i]
+    K_partial_z2 = K_partial_z2[:, s.unique_i]
+
+    return (K_partial_x1, K_partial_y1, K_partial_z1), (K_partial_x2, K_partial_y2, K_partial_z2)
 end
\ No newline at end of file