diff --git a/.doctrees/environment.pickle b/.doctrees/environment.pickle
index 5e63c0f2f..6e640b12d 100644
Binary files a/.doctrees/environment.pickle and b/.doctrees/environment.pickle differ
diff --git a/.doctrees/nbsphinx/tutorials/01-introduction.ipynb b/.doctrees/nbsphinx/tutorials/01-introduction.ipynb
index ad7d9f2a8..6029431d7 100644
--- a/.doctrees/nbsphinx/tutorials/01-introduction.ipynb
+++ b/.doctrees/nbsphinx/tutorials/01-introduction.ipynb
@@ -16,10 +16,10 @@
"execution_count": 1,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:40.890186Z",
- "iopub.status.busy": "2023-09-07T15:26:40.889998Z",
- "iopub.status.idle": "2023-09-07T15:26:41.155566Z",
- "shell.execute_reply": "2023-09-07T15:26:41.155021Z"
+ "iopub.execute_input": "2023-09-18T02:05:03.658805Z",
+ "iopub.status.busy": "2023-09-18T02:05:03.658381Z",
+ "iopub.status.idle": "2023-09-18T02:05:03.955093Z",
+ "shell.execute_reply": "2023-09-18T02:05:03.954447Z"
}
},
"outputs": [],
@@ -62,10 +62,10 @@
"execution_count": 2,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:41.160196Z",
- "iopub.status.busy": "2023-09-07T15:26:41.158882Z",
- "iopub.status.idle": "2023-09-07T15:26:41.164122Z",
- "shell.execute_reply": "2023-09-07T15:26:41.163663Z"
+ "iopub.execute_input": "2023-09-18T02:05:03.959523Z",
+ "iopub.status.busy": "2023-09-18T02:05:03.958887Z",
+ "iopub.status.idle": "2023-09-18T02:05:03.962807Z",
+ "shell.execute_reply": "2023-09-18T02:05:03.962347Z"
}
},
"outputs": [],
@@ -92,10 +92,10 @@
"execution_count": 3,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:41.167258Z",
- "iopub.status.busy": "2023-09-07T15:26:41.166917Z",
- "iopub.status.idle": "2023-09-07T15:26:41.170732Z",
- "shell.execute_reply": "2023-09-07T15:26:41.170270Z"
+ "iopub.execute_input": "2023-09-18T02:05:03.966673Z",
+ "iopub.status.busy": "2023-09-18T02:05:03.965624Z",
+ "iopub.status.idle": "2023-09-18T02:05:03.969627Z",
+ "shell.execute_reply": "2023-09-18T02:05:03.969180Z"
}
},
"outputs": [],
diff --git a/.doctrees/nbsphinx/tutorials/02-orbital-rotation.ipynb b/.doctrees/nbsphinx/tutorials/02-orbital-rotation.ipynb
index 37d0723e8..5a83bace4 100644
--- a/.doctrees/nbsphinx/tutorials/02-orbital-rotation.ipynb
+++ b/.doctrees/nbsphinx/tutorials/02-orbital-rotation.ipynb
@@ -43,10 +43,10 @@
"execution_count": 1,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:42.794994Z",
- "iopub.status.busy": "2023-09-07T15:26:42.794511Z",
- "iopub.status.idle": "2023-09-07T15:26:43.059300Z",
- "shell.execute_reply": "2023-09-07T15:26:43.058758Z"
+ "iopub.execute_input": "2023-09-18T02:05:05.512787Z",
+ "iopub.status.busy": "2023-09-18T02:05:05.512357Z",
+ "iopub.status.idle": "2023-09-18T02:05:05.805381Z",
+ "shell.execute_reply": "2023-09-18T02:05:05.804805Z"
}
},
"outputs": [],
@@ -111,10 +111,10 @@
"execution_count": 2,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:43.063803Z",
- "iopub.status.busy": "2023-09-07T15:26:43.062723Z",
- "iopub.status.idle": "2023-09-07T15:26:43.087233Z",
- "shell.execute_reply": "2023-09-07T15:26:43.086742Z"
+ "iopub.execute_input": "2023-09-18T02:05:05.808773Z",
+ "iopub.status.busy": "2023-09-18T02:05:05.808218Z",
+ "iopub.status.idle": "2023-09-18T02:05:05.831943Z",
+ "shell.execute_reply": "2023-09-18T02:05:05.831473Z"
}
},
"outputs": [],
@@ -160,10 +160,10 @@
"execution_count": 3,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:43.091091Z",
- "iopub.status.busy": "2023-09-07T15:26:43.090131Z",
- "iopub.status.idle": "2023-09-07T15:26:43.101373Z",
- "shell.execute_reply": "2023-09-07T15:26:43.100898Z"
+ "iopub.execute_input": "2023-09-18T02:05:05.835698Z",
+ "iopub.status.busy": "2023-09-18T02:05:05.834771Z",
+ "iopub.status.idle": "2023-09-18T02:05:05.845616Z",
+ "shell.execute_reply": "2023-09-18T02:05:05.845143Z"
}
},
"outputs": [],
@@ -203,10 +203,10 @@
"execution_count": 4,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:43.105118Z",
- "iopub.status.busy": "2023-09-07T15:26:43.104198Z",
- "iopub.status.idle": "2023-09-07T15:26:43.109678Z",
- "shell.execute_reply": "2023-09-07T15:26:43.109212Z"
+ "iopub.execute_input": "2023-09-18T02:05:05.849173Z",
+ "iopub.status.busy": "2023-09-18T02:05:05.848283Z",
+ "iopub.status.idle": "2023-09-18T02:05:05.853696Z",
+ "shell.execute_reply": "2023-09-18T02:05:05.853238Z"
}
},
"outputs": [],
diff --git a/.doctrees/nbsphinx/tutorials/03-double-factorized.ipynb b/.doctrees/nbsphinx/tutorials/03-double-factorized.ipynb
index ba7048cc6..1389dccd5 100644
--- a/.doctrees/nbsphinx/tutorials/03-double-factorized.ipynb
+++ b/.doctrees/nbsphinx/tutorials/03-double-factorized.ipynb
@@ -43,10 +43,10 @@
"execution_count": 1,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:44.545162Z",
- "iopub.status.busy": "2023-09-07T15:26:44.544972Z",
- "iopub.status.idle": "2023-09-07T15:26:44.921112Z",
- "shell.execute_reply": "2023-09-07T15:26:44.920522Z"
+ "iopub.execute_input": "2023-09-18T02:05:07.523673Z",
+ "iopub.status.busy": "2023-09-18T02:05:07.523282Z",
+ "iopub.status.idle": "2023-09-18T02:05:07.948579Z",
+ "shell.execute_reply": "2023-09-18T02:05:07.947852Z"
}
},
"outputs": [
@@ -93,10 +93,10 @@
"execution_count": 2,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:44.926467Z",
- "iopub.status.busy": "2023-09-07T15:26:44.925211Z",
- "iopub.status.idle": "2023-09-07T15:26:44.934235Z",
- "shell.execute_reply": "2023-09-07T15:26:44.933024Z"
+ "iopub.execute_input": "2023-09-18T02:05:07.962923Z",
+ "iopub.status.busy": "2023-09-18T02:05:07.962413Z",
+ "iopub.status.idle": "2023-09-18T02:05:07.968633Z",
+ "shell.execute_reply": "2023-09-18T02:05:07.968167Z"
}
},
"outputs": [
@@ -111,44 +111,44 @@
" [-3.07220771e-16 -6.77238770e-01]]\n",
"\n",
"Two-body tensor:\n",
- "[[[[5.23173938e-01 1.94289029e-16]\n",
- " [1.94289029e-16 5.33545754e-01]]\n",
+ "[[[[5.23173938e-01 1.57437591e-16]\n",
+ " [1.57437591e-16 5.33545754e-01]]\n",
"\n",
- " [[1.94289029e-16 2.48240570e-01]\n",
- " [2.48240570e-01 8.32667268e-17]]]\n",
+ " [[2.12704463e-16 2.48240570e-01]\n",
+ " [2.48240570e-01 1.61492903e-16]]]\n",
"\n",
"\n",
- " [[[1.94289029e-16 2.48240570e-01]\n",
- " [2.48240570e-01 8.32667268e-17]]\n",
+ " [[[2.12704463e-16 2.48240570e-01]\n",
+ " [2.48240570e-01 1.61492903e-16]]\n",
"\n",
- " [[5.33545754e-01 1.11022302e-16]\n",
- " [1.11022302e-16 5.53132024e-01]]]]\n",
+ " [[5.33545754e-01 1.24884750e-16]\n",
+ " [1.24884750e-16 5.53132024e-01]]]]\n",
"\n",
"Double-factorized representation\n",
"--------------------------------\n",
"One-body tensor:\n",
- "[[-1.21318608e+00 -4.05183033e-16]\n",
- " [-4.59876437e-16 -1.07792507e+00]]\n",
+ "[[-1.21318608e+00 -4.25870402e-16]\n",
+ " [-4.76015378e-16 -1.07792507e+00]]\n",
"\n",
"Diagonal Coulomb matrices:\n",
- "[[[ 5.14653029e-001 5.33545754e-001]\n",
- " [ 5.33545754e-001 5.53132024e-001]]\n",
+ "[[[ 5.14653029e-01 5.33545754e-01]\n",
+ " [ 5.33545754e-01 5.53132024e-01]]\n",
"\n",
- " [[ 2.48240570e-001 -2.48240570e-001]\n",
- " [-2.48240570e-001 2.48240570e-001]]\n",
+ " [[ 2.48240570e-01 -2.48240570e-01]\n",
+ " [-2.48240570e-01 2.48240570e-01]]\n",
"\n",
- " [[ 5.96958401e-121 -7.13206008e-062]\n",
- " [-7.13206008e-062 8.52090881e-003]]]\n",
+ " [[ 1.50800163e-59 -3.58462611e-31]\n",
+ " [-3.58462611e-31 8.52090881e-03]]]\n",
"\n",
"Orbital rotations:\n",
- "[[[-1.00000000e+00 4.25128053e-15]\n",
- " [ 4.25128053e-15 1.00000000e+00]]\n",
+ "[[[-1.00000000e+00 8.24520980e-15]\n",
+ " [ 8.24520980e-15 1.00000000e+00]]\n",
"\n",
- " [[ 7.07106781e-01 -7.07106781e-01]\n",
- " [-7.07106781e-01 -7.07106781e-01]]\n",
+ " [[-7.07106781e-01 -7.07106781e-01]\n",
+ " [ 7.07106781e-01 -7.07106781e-01]]\n",
"\n",
- " [[ 2.89310728e-30 -1.00000000e+00]\n",
- " [-1.00000000e+00 -2.89310728e-30]]]\n"
+ " [[ 6.48603030e-15 -1.00000000e+00]\n",
+ " [-1.00000000e+00 -6.48603030e-15]]]\n"
]
}
],
@@ -227,10 +227,10 @@
"execution_count": 3,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:44.937097Z",
- "iopub.status.busy": "2023-09-07T15:26:44.936719Z",
- "iopub.status.idle": "2023-09-07T15:26:44.941442Z",
- "shell.execute_reply": "2023-09-07T15:26:44.940888Z"
+ "iopub.execute_input": "2023-09-18T02:05:07.971383Z",
+ "iopub.status.busy": "2023-09-18T02:05:07.970957Z",
+ "iopub.status.idle": "2023-09-18T02:05:07.975813Z",
+ "shell.execute_reply": "2023-09-18T02:05:07.975336Z"
}
},
"outputs": [],
@@ -285,10 +285,10 @@
"execution_count": 4,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:44.943853Z",
- "iopub.status.busy": "2023-09-07T15:26:44.943661Z",
- "iopub.status.idle": "2023-09-07T15:26:44.947511Z",
- "shell.execute_reply": "2023-09-07T15:26:44.946949Z"
+ "iopub.execute_input": "2023-09-18T02:05:07.978268Z",
+ "iopub.status.busy": "2023-09-18T02:05:07.977905Z",
+ "iopub.status.idle": "2023-09-18T02:05:07.981583Z",
+ "shell.execute_reply": "2023-09-18T02:05:07.981127Z"
}
},
"outputs": [],
@@ -325,10 +325,10 @@
"execution_count": 5,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:44.949838Z",
- "iopub.status.busy": "2023-09-07T15:26:44.949656Z",
- "iopub.status.idle": "2023-09-07T15:26:44.954241Z",
- "shell.execute_reply": "2023-09-07T15:26:44.953674Z"
+ "iopub.execute_input": "2023-09-18T02:05:07.984042Z",
+ "iopub.status.busy": "2023-09-18T02:05:07.983658Z",
+ "iopub.status.idle": "2023-09-18T02:05:07.988160Z",
+ "shell.execute_reply": "2023-09-18T02:05:07.987706Z"
}
},
"outputs": [
@@ -336,7 +336,7 @@
"name": "stdout",
"output_type": "stream",
"text": [
- "Hartree Fock energy: -0.837796382593709\n"
+ "Hartree Fock energy: -0.8377963825937088\n"
]
}
],
@@ -367,10 +367,10 @@
"execution_count": 6,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:44.957218Z",
- "iopub.status.busy": "2023-09-07T15:26:44.957027Z",
- "iopub.status.idle": "2023-09-07T15:26:44.976975Z",
- "shell.execute_reply": "2023-09-07T15:26:44.976401Z"
+ "iopub.execute_input": "2023-09-18T02:05:07.990630Z",
+ "iopub.status.busy": "2023-09-18T02:05:07.990253Z",
+ "iopub.status.idle": "2023-09-18T02:05:07.998852Z",
+ "shell.execute_reply": "2023-09-18T02:05:07.998404Z"
}
},
"outputs": [
@@ -409,10 +409,10 @@
"execution_count": 7,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:44.979271Z",
- "iopub.status.busy": "2023-09-07T15:26:44.979089Z",
- "iopub.status.idle": "2023-09-07T15:26:44.986473Z",
- "shell.execute_reply": "2023-09-07T15:26:44.985937Z"
+ "iopub.execute_input": "2023-09-18T02:05:08.001256Z",
+ "iopub.status.busy": "2023-09-18T02:05:08.000883Z",
+ "iopub.status.idle": "2023-09-18T02:05:08.008185Z",
+ "shell.execute_reply": "2023-09-18T02:05:08.007713Z"
}
},
"outputs": [
@@ -420,7 +420,7 @@
"name": "stdout",
"output_type": "stream",
"text": [
- "Fidelity of Trotter-evolved state with exact state: 0.9990275744083491\n"
+ "Fidelity of Trotter-evolved state with exact state: 0.999027574408349\n"
]
}
],
@@ -450,10 +450,10 @@
"execution_count": 8,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:44.990312Z",
- "iopub.status.busy": "2023-09-07T15:26:44.990026Z",
- "iopub.status.idle": "2023-09-07T15:26:45.024328Z",
- "shell.execute_reply": "2023-09-07T15:26:45.023790Z"
+ "iopub.execute_input": "2023-09-18T02:05:08.010462Z",
+ "iopub.status.busy": "2023-09-18T02:05:08.010158Z",
+ "iopub.status.idle": "2023-09-18T02:05:08.045650Z",
+ "shell.execute_reply": "2023-09-18T02:05:08.045200Z"
}
},
"outputs": [
@@ -461,7 +461,7 @@
"name": "stdout",
"output_type": "stream",
"text": [
- "Fidelity of Trotter-evolved state with exact state: 0.9999906233109653\n"
+ "Fidelity of Trotter-evolved state with exact state: 0.9999906233109657\n"
]
}
],
@@ -493,10 +493,10 @@
"execution_count": 9,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:45.026743Z",
- "iopub.status.busy": "2023-09-07T15:26:45.026527Z",
- "iopub.status.idle": "2023-09-07T15:26:45.054074Z",
- "shell.execute_reply": "2023-09-07T15:26:45.053560Z"
+ "iopub.execute_input": "2023-09-18T02:05:08.048369Z",
+ "iopub.status.busy": "2023-09-18T02:05:08.048062Z",
+ "iopub.status.idle": "2023-09-18T02:05:08.075448Z",
+ "shell.execute_reply": "2023-09-18T02:05:08.075010Z"
}
},
"outputs": [
@@ -504,7 +504,7 @@
"name": "stdout",
"output_type": "stream",
"text": [
- "Fidelity of Trotter-evolved state with exact state: 0.9999906233109653\n"
+ "Fidelity of Trotter-evolved state with exact state: 0.9999906233109657\n"
]
}
],
@@ -535,10 +535,10 @@
"execution_count": 10,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:45.056440Z",
- "iopub.status.busy": "2023-09-07T15:26:45.056262Z",
- "iopub.status.idle": "2023-09-07T15:26:45.070133Z",
- "shell.execute_reply": "2023-09-07T15:26:45.069612Z"
+ "iopub.execute_input": "2023-09-18T02:05:08.077880Z",
+ "iopub.status.busy": "2023-09-18T02:05:08.077582Z",
+ "iopub.status.idle": "2023-09-18T02:05:08.089522Z",
+ "shell.execute_reply": "2023-09-18T02:05:08.089090Z"
}
},
"outputs": [
@@ -546,7 +546,7 @@
"name": "stdout",
"output_type": "stream",
"text": [
- "Fidelity of Trotter-evolved state with exact state: 0.9999999336740059\n"
+ "Fidelity of Trotter-evolved state with exact state: 0.9999999336740057\n"
]
}
],
diff --git a/.doctrees/nbsphinx/tutorials/04-lucj.ipynb b/.doctrees/nbsphinx/tutorials/04-lucj.ipynb
index e090a9cbd..ce73d31a9 100644
--- a/.doctrees/nbsphinx/tutorials/04-lucj.ipynb
+++ b/.doctrees/nbsphinx/tutorials/04-lucj.ipynb
@@ -14,10 +14,10 @@
"execution_count": 1,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:47.013441Z",
- "iopub.status.busy": "2023-09-07T15:26:47.013236Z",
- "iopub.status.idle": "2023-09-07T15:26:47.355236Z",
- "shell.execute_reply": "2023-09-07T15:26:47.354722Z"
+ "iopub.execute_input": "2023-09-18T02:05:09.969349Z",
+ "iopub.status.busy": "2023-09-18T02:05:09.968911Z",
+ "iopub.status.idle": "2023-09-18T02:05:10.339028Z",
+ "shell.execute_reply": "2023-09-18T02:05:10.338496Z"
}
},
"outputs": [
@@ -80,10 +80,10 @@
"execution_count": 2,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:47.361071Z",
- "iopub.status.busy": "2023-09-07T15:26:47.360482Z",
- "iopub.status.idle": "2023-09-07T15:26:47.505657Z",
- "shell.execute_reply": "2023-09-07T15:26:47.505182Z"
+ "iopub.execute_input": "2023-09-18T02:05:10.342145Z",
+ "iopub.status.busy": "2023-09-18T02:05:10.341656Z",
+ "iopub.status.idle": "2023-09-18T02:05:10.440591Z",
+ "shell.execute_reply": "2023-09-18T02:05:10.440086Z"
}
},
"outputs": [
@@ -91,14 +91,14 @@
"name": "stdout",
"output_type": "stream",
"text": [
- "E(CCSD) = -0.970773076716434 E_corr = -0.1329766941227252\n"
+ "E(CCSD) = -0.9707730767164341 E_corr = -0.1329766941227253\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
- "Energy at initialialization: -0.9696246123746335\n"
+ "Energy at initialialization: -0.9696246123746332\n"
]
}
],
@@ -145,10 +145,10 @@
"execution_count": 3,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:47.510068Z",
- "iopub.status.busy": "2023-09-07T15:26:47.508909Z",
- "iopub.status.idle": "2023-09-07T15:26:47.651624Z",
- "shell.execute_reply": "2023-09-07T15:26:47.651122Z"
+ "iopub.execute_input": "2023-09-18T02:05:10.443357Z",
+ "iopub.status.busy": "2023-09-18T02:05:10.442931Z",
+ "iopub.status.idle": "2023-09-18T02:05:10.598491Z",
+ "shell.execute_reply": "2023-09-18T02:05:10.597968Z"
}
},
"outputs": [
@@ -160,15 +160,15 @@
" message: Optimization terminated successfully.\n",
" success: True\n",
" status: 0\n",
- " fun: -0.970773075391498\n",
+ " fun: -0.9707730753913614\n",
" x: [-2.678e-01 2.678e-01 ... -1.970e+00 -1.970e+00]\n",
" nit: 2\n",
- " jac: [-5.960e-08 0.000e+00 ... -2.980e-08 -1.490e-07]\n",
- " hess_inv: [[ 1.000e+00 0.000e+00 ... 1.364e-12 -2.206e-13]\n",
+ " jac: [ 1.490e-08 0.000e+00 ... 9.686e-08 -1.714e-07]\n",
+ " hess_inv: [[ 1.000e+00 0.000e+00 ... 4.080e-13 -3.192e-13]\n",
" [ 0.000e+00 1.000e+00 ... 0.000e+00 0.000e+00]\n",
" ...\n",
- " [ 1.364e-12 0.000e+00 ... 1.000e+00 1.818e-12]\n",
- " [-2.206e-13 0.000e+00 ... 1.818e-12 1.000e+00]]\n",
+ " [ 4.080e-13 0.000e+00 ... 1.000e+00 -2.505e-12]\n",
+ " [-3.192e-13 0.000e+00 ... -2.505e-12 1.000e+00]]\n",
" nfev: 63\n",
" njev: 3\n"
]
@@ -222,10 +222,10 @@
"execution_count": 4,
"metadata": {
"execution": {
- "iopub.execute_input": "2023-09-07T15:26:47.655633Z",
- "iopub.status.busy": "2023-09-07T15:26:47.654532Z",
- "iopub.status.idle": "2023-09-07T15:26:47.820397Z",
- "shell.execute_reply": "2023-09-07T15:26:47.819778Z"
+ "iopub.execute_input": "2023-09-18T02:05:10.601282Z",
+ "iopub.status.busy": "2023-09-18T02:05:10.600952Z",
+ "iopub.status.idle": "2023-09-18T02:05:10.746486Z",
+ "shell.execute_reply": "2023-09-18T02:05:10.745975Z"
}
},
"outputs": [
@@ -237,15 +237,15 @@
" message: Optimization terminated successfully.\n",
" success: True\n",
" status: 0\n",
- " fun: -0.9707730754179825\n",
+ " fun: -0.9707730754179815\n",
" x: [ 2.678e-01 -2.678e-01 ... -1.970e+00 -1.970e+00]\n",
" nit: 4\n",
- " jac: [ 0.000e+00 0.000e+00 ... 8.196e-08 -7.451e-08]\n",
+ " jac: [ 0.000e+00 0.000e+00 ... -4.470e-08 -2.980e-08]\n",
" hess_inv: [[ 1.000e+00 0.000e+00 ... 0.000e+00 0.000e+00]\n",
" [ 0.000e+00 1.000e+00 ... 0.000e+00 0.000e+00]\n",
" ...\n",
- " [ 0.000e+00 0.000e+00 ... 1.000e+00 2.029e-10]\n",
- " [ 0.000e+00 0.000e+00 ... 2.029e-10 1.000e+00]]\n",
+ " [ 0.000e+00 0.000e+00 ... 1.000e+00 -6.132e-10]\n",
+ " [ 0.000e+00 0.000e+00 ... -6.132e-10 1.000e+00]]\n",
" nfev: 75\n",
" njev: 5\n"
]
diff --git a/.doctrees/tutorials/03-double-factorized.doctree b/.doctrees/tutorials/03-double-factorized.doctree
index f54f0264c..09a268958 100644
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diff --git a/.doctrees/tutorials/04-lucj.doctree b/.doctrees/tutorials/04-lucj.doctree
index 66221ca8f..34d6b2460 100644
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diff --git a/_modules/ffsim/contract/diag_coulomb.html b/_modules/ffsim/contract/diag_coulomb.html
index 10d4d530b..c7570e367 100644
--- a/_modules/ffsim/contract/diag_coulomb.html
+++ b/_modules/ffsim/contract/diag_coulomb.html
@@ -375,7 +375,7 @@
Quick search
©2023, IBM.
|
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& Alabaster 0.7.13
diff --git a/_modules/ffsim/contract/hamiltonian.html b/_modules/ffsim/contract/hamiltonian.html
index 4adbdcd53..9c81b0dc4 100644
--- a/_modules/ffsim/contract/hamiltonian.html
+++ b/_modules/ffsim/contract/hamiltonian.html
@@ -250,7 +250,7 @@ Quick search
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& Alabaster 0.7.13
diff --git a/_modules/ffsim/contract/num_op_sum.html b/_modules/ffsim/contract/num_op_sum.html
index 4c74f24b8..c47f6cf4c 100644
--- a/_modules/ffsim/contract/num_op_sum.html
+++ b/_modules/ffsim/contract/num_op_sum.html
@@ -271,7 +271,7 @@ Quick search
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diff --git a/_modules/ffsim/gates/diag_coulomb.html b/_modules/ffsim/gates/diag_coulomb.html
index 819e82d8b..43a948cc8 100644
--- a/_modules/ffsim/gates/diag_coulomb.html
+++ b/_modules/ffsim/gates/diag_coulomb.html
@@ -261,7 +261,7 @@ Quick search
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+ Powered by Sphinx 7.2.6
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diff --git a/_modules/ffsim/gates/gates.html b/_modules/ffsim/gates/gates.html
index 5fc9ac743..d5cec41a1 100644
--- a/_modules/ffsim/gates/gates.html
+++ b/_modules/ffsim/gates/gates.html
@@ -324,7 +324,7 @@ Quick search
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diff --git a/_modules/ffsim/gates/num_op_sum.html b/_modules/ffsim/gates/num_op_sum.html
index e65666b1a..dc4b8a37a 100644
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+++ b/_modules/ffsim/gates/num_op_sum.html
@@ -224,7 +224,7 @@ Quick search
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& Alabaster 0.7.13
diff --git a/_modules/ffsim/gates/orbital_rotation.html b/_modules/ffsim/gates/orbital_rotation.html
index a19022c35..80c941f94 100644
--- a/_modules/ffsim/gates/orbital_rotation.html
+++ b/_modules/ffsim/gates/orbital_rotation.html
@@ -450,7 +450,7 @@ Quick search
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diff --git a/_modules/ffsim/hamiltonians/double_factorized_hamiltonian.html b/_modules/ffsim/hamiltonians/double_factorized_hamiltonian.html
index cbed98fbc..49b47b7b1 100644
--- a/_modules/ffsim/hamiltonians/double_factorized_hamiltonian.html
+++ b/_modules/ffsim/hamiltonians/double_factorized_hamiltonian.html
@@ -404,7 +404,7 @@ Quick search
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diff --git a/_modules/ffsim/hamiltonians/molecular_hamiltonian.html b/_modules/ffsim/hamiltonians/molecular_hamiltonian.html
index 1de558773..9d117fe24 100644
--- a/_modules/ffsim/hamiltonians/molecular_hamiltonian.html
+++ b/_modules/ffsim/hamiltonians/molecular_hamiltonian.html
@@ -167,7 +167,7 @@ Quick search
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diff --git a/_modules/ffsim/linalg/double_factorized.html b/_modules/ffsim/linalg/double_factorized.html
index f2880d561..97ccac904 100644
--- a/_modules/ffsim/linalg/double_factorized.html
+++ b/_modules/ffsim/linalg/double_factorized.html
@@ -610,7 +610,7 @@ Quick search
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+ Powered by Sphinx 7.2.6
& Alabaster 0.7.13
diff --git a/_modules/ffsim/linalg/givens.html b/_modules/ffsim/linalg/givens.html
index 70cb01f1d..e7130d95c 100644
--- a/_modules/ffsim/linalg/givens.html
+++ b/_modules/ffsim/linalg/givens.html
@@ -260,7 +260,7 @@ Quick search
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+ Powered by Sphinx 7.2.6
& Alabaster 0.7.13
diff --git a/_modules/ffsim/linalg/linalg.html b/_modules/ffsim/linalg/linalg.html
index 2f3efe449..c32ff5671 100644
--- a/_modules/ffsim/linalg/linalg.html
+++ b/_modules/ffsim/linalg/linalg.html
@@ -149,7 +149,7 @@ Quick search
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+ Powered by Sphinx 7.2.6
& Alabaster 0.7.13
diff --git a/_modules/ffsim/linalg/predicates.html b/_modules/ffsim/linalg/predicates.html
index d084db7a4..e388ba40f 100644
--- a/_modules/ffsim/linalg/predicates.html
+++ b/_modules/ffsim/linalg/predicates.html
@@ -238,7 +238,7 @@ Quick search
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+ Powered by Sphinx 7.2.6
& Alabaster 0.7.13
diff --git a/_modules/ffsim/molecular_data.html b/_modules/ffsim/molecular_data.html
index 588fa798e..d3dbe91ad 100644
--- a/_modules/ffsim/molecular_data.html
+++ b/_modules/ffsim/molecular_data.html
@@ -232,7 +232,7 @@ Quick search
©2023, IBM.
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+ Powered by Sphinx 7.2.6
& Alabaster 0.7.13
diff --git a/_modules/ffsim/protocols/linear_operator.html b/_modules/ffsim/protocols/linear_operator.html
index 183c669f9..be37f9964 100644
--- a/_modules/ffsim/protocols/linear_operator.html
+++ b/_modules/ffsim/protocols/linear_operator.html
@@ -140,7 +140,7 @@ Quick search
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+ Powered by Sphinx 7.2.6
& Alabaster 0.7.13
diff --git a/_modules/ffsim/protocols/trace.html b/_modules/ffsim/protocols/trace.html
index 895c41450..93a33da69 100644
--- a/_modules/ffsim/protocols/trace.html
+++ b/_modules/ffsim/protocols/trace.html
@@ -138,7 +138,7 @@ Quick search
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& Alabaster 0.7.13
diff --git a/_modules/ffsim/random.html b/_modules/ffsim/random.html
index 8ce52b819..a9bd6d896 100644
--- a/_modules/ffsim/random.html
+++ b/_modules/ffsim/random.html
@@ -326,7 +326,7 @@ Quick search
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+ Powered by Sphinx 7.2.6
& Alabaster 0.7.13
diff --git a/_modules/ffsim/slow.html b/_modules/ffsim/slow.html
index 611e8e076..e65be3bea 100644
--- a/_modules/ffsim/slow.html
+++ b/_modules/ffsim/slow.html
@@ -426,7 +426,7 @@ Quick search
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+ Powered by Sphinx 7.2.6
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diff --git a/_modules/ffsim/states.html b/_modules/ffsim/states.html
index 0734d3567..a3f7f0226 100644
--- a/_modules/ffsim/states.html
+++ b/_modules/ffsim/states.html
@@ -239,7 +239,7 @@ Quick search
©2023, IBM.
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+ Powered by Sphinx 7.2.6
& Alabaster 0.7.13
diff --git a/_modules/ffsim/testing.html b/_modules/ffsim/testing.html
index 30aa72ab4..5f0b82a5b 100644
--- a/_modules/ffsim/testing.html
+++ b/_modules/ffsim/testing.html
@@ -152,7 +152,7 @@ Quick search
©2023, IBM.
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+ Powered by Sphinx 7.2.6
& Alabaster 0.7.13
diff --git a/_modules/ffsim/trotter/qdrift.html b/_modules/ffsim/trotter/qdrift.html
index c5eae08c4..6cd3c6024 100644
--- a/_modules/ffsim/trotter/qdrift.html
+++ b/_modules/ffsim/trotter/qdrift.html
@@ -784,7 +784,7 @@ Quick search
©2023, IBM.
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+ Powered by Sphinx 7.2.6
& Alabaster 0.7.13
diff --git a/_modules/ffsim/trotter/trotter.html b/_modules/ffsim/trotter/trotter.html
index 2598e7a8e..0cb786121 100644
--- a/_modules/ffsim/trotter/trotter.html
+++ b/_modules/ffsim/trotter/trotter.html
@@ -277,7 +277,7 @@ Quick search
©2023, IBM.
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+ Powered by Sphinx 7.2.6
& Alabaster 0.7.13
diff --git a/_modules/ffsim/variational/lucj.html b/_modules/ffsim/variational/lucj.html
index c2e3533c6..dac096a80 100644
--- a/_modules/ffsim/variational/lucj.html
+++ b/_modules/ffsim/variational/lucj.html
@@ -464,7 +464,7 @@ Quick search
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& Alabaster 0.7.13
diff --git a/_modules/ffsim/wick.html b/_modules/ffsim/wick.html
index b1f84975f..f8b03a625 100644
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+++ b/_modules/ffsim/wick.html
@@ -216,7 +216,7 @@ Quick search
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& Alabaster 0.7.13
diff --git a/_modules/index.html b/_modules/index.html
index 3005040e6..23b0d577a 100644
--- a/_modules/index.html
+++ b/_modules/index.html
@@ -116,7 +116,7 @@ Quick search
©2023, IBM.
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& Alabaster 0.7.13
diff --git a/api/generated/ffsim.contract.html b/api/generated/ffsim.contract.html
index bb1941564..aa58e9588 100644
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+++ b/api/generated/ffsim.contract.html
@@ -296,7 +296,7 @@ Quick search
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diff --git a/api/generated/ffsim.gates.html b/api/generated/ffsim.gates.html
index f981f3b9d..75add910a 100644
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+++ b/api/generated/ffsim.gates.html
@@ -401,7 +401,7 @@ Quick search
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diff --git a/api/generated/ffsim.hamiltonians.html b/api/generated/ffsim.hamiltonians.html
index 6b724155e..0f5bb32e6 100644
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+++ b/api/generated/ffsim.hamiltonians.html
@@ -358,7 +358,7 @@ Quick search
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diff --git a/api/generated/ffsim.html b/api/generated/ffsim.html
index 811525981..99943eebb 100644
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+++ b/api/generated/ffsim.html
@@ -805,7 +805,7 @@ Quick search
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diff --git a/api/generated/ffsim.linalg.html b/api/generated/ffsim.linalg.html
index 8f919c02b..283b62a13 100644
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@@ -521,7 +521,7 @@ Quick search
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diff --git a/api/generated/ffsim.protocols.html b/api/generated/ffsim.protocols.html
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+++ b/api/generated/ffsim.protocols.html
@@ -156,7 +156,7 @@ Quick search
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diff --git a/api/generated/ffsim.trotter.html b/api/generated/ffsim.trotter.html
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+++ b/api/generated/ffsim.trotter.html
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diff --git a/api/generated/ffsim.variational.html b/api/generated/ffsim.variational.html
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@@ -246,7 +246,7 @@ Quick search
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diff --git a/api/generated/modules.html b/api/generated/modules.html
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+++ b/api/generated/modules.html
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diff --git a/api/index.html b/api/index.html
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diff --git a/genindex.html b/genindex.html
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diff --git a/search.html b/search.html
index da48e32a4..539a2e4eb 100644
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+++ b/search.html
@@ -116,7 +116,7 @@ Related Topics
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index fe0eb6e55..eb4094a3b 100644
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+++ b/searchindex.js
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"module-ffsim.gates.orbital_rotation"]], "ffsim.hamiltonians package": [[3, "ffsim-hamiltonians-package"]], "ffsim.hamiltonians.double_factorized_hamiltonian module": [[3, "module-ffsim.hamiltonians.double_factorized_hamiltonian"]], "ffsim.hamiltonians.molecular_hamiltonian module": [[3, "module-ffsim.hamiltonians.molecular_hamiltonian"]], "ffsim.linalg package": [[4, "ffsim-linalg-package"]], "ffsim.linalg.double_factorized module": [[4, "module-ffsim.linalg.double_factorized"]], "ffsim.linalg.givens module": [[4, "module-ffsim.linalg.givens"]], "ffsim.linalg.linalg module": [[4, "module-ffsim.linalg.linalg"]], "ffsim.linalg.predicates module": [[4, "module-ffsim.linalg.predicates"]], "ffsim.protocols package": [[5, "ffsim-protocols-package"]], "ffsim.protocols.linear_operator module": [[5, "module-ffsim.protocols.linear_operator"]], "ffsim.protocols.trace module": [[5, "module-ffsim.protocols.trace"]], "ffsim.trotter package": [[6, "ffsim-trotter-package"]], "ffsim.trotter.qdrift module": [[6, "module-ffsim.trotter.qdrift"]], "ffsim.trotter.trotter module": [[6, "module-ffsim.trotter.trotter"]], "ffsim.variational package": [[7, "ffsim-variational-package"]], "ffsim.variational.lucj module": [[7, "module-ffsim.variational.lucj"]], "ffsim": [[8, "ffsim"]], "API reference": [[9, "api-reference"]], "ffsim documentation": [[10, "ffsim-documentation"]], "Contents:": [[10, null], [15, null]], "Indices and tables": [[10, "indices-and-tables"]], "Introduction to ffsim": [[11, "Introduction-to-ffsim"]], "Orbital rotations and quadratic Hamiltonians": [[12, "Orbital-rotations-and-quadratic-Hamiltonians"]], "Orbital rotations": [[12, "Orbital-rotations"]], "Time evolution by a quadratic Hamiltonian": [[12, "Time-evolution-by-a-quadratic-Hamiltonian"]], "Diagonal Coulomb operators and double-factorized Trotter simulation": [[13, "Diagonal-Coulomb-operators-and-double-factorized-Trotter-simulation"]], "Double-factorized representation of the molecular Hamiltonian": [[13, "Double-factorized-representation-of-the-molecular-Hamiltonian"]], "Trotter simulation of the double-factorized Hamiltonian": [[13, "Trotter-simulation-of-the-double-factorized-Hamiltonian"]], "Brief background on Trotter-Suzuki formulas": [[13, "Brief-background-on-Trotter-Suzuki-formulas"]], "Implementing Trotter simulation of the double-factorized Hamiltonian": [[13, "Implementing-Trotter-simulation-of-the-double-factorized-Hamiltonian"]], "The local unitary cluster Jastrow (LUCJ) ansatz": [[14, "The-local-unitary-cluster-Jastrow-(LUCJ)-ansatz"], [14, "id1"]], "The unitary cluster Jastrow (UCJ) ansatz": [[14, "The-unitary-cluster-Jastrow-(UCJ)-ansatz"]], "Tutorials": [[15, "tutorials"]]}, "indexentries": {"moleculardata (class in ffsim.molecular_data)": [[0, "ffsim.molecular_data.MolecularData"]], "apply_diag_coulomb_evolution_in_place_num_rep_numpy() (in module ffsim.slow)": [[0, "ffsim.slow.apply_diag_coulomb_evolution_in_place_num_rep_numpy"]], "apply_diag_coulomb_evolution_in_place_num_rep_slow() (in module ffsim.slow)": [[0, "ffsim.slow.apply_diag_coulomb_evolution_in_place_num_rep_slow"]], "apply_diag_coulomb_evolution_in_place_z_rep_slow() (in module ffsim.slow)": [[0, "ffsim.slow.apply_diag_coulomb_evolution_in_place_z_rep_slow"]], "apply_givens_rotation_in_place_slow() (in module ffsim.slow)": [[0, "ffsim.slow.apply_givens_rotation_in_place_slow"]], "apply_num_op_sum_evolution_in_place_slow() (in module ffsim.slow)": [[0, "ffsim.slow.apply_num_op_sum_evolution_in_place_slow"]], "apply_single_column_transformation_in_place_slow() (in module ffsim.slow)": [[0, "ffsim.slow.apply_single_column_transformation_in_place_slow"]], "dim() (in module ffsim.states)": [[0, "ffsim.states.dim"]], "dims() (in module ffsim.states)": [[0, "ffsim.states.dims"]], "expectation_power() (in module ffsim.wick)": [[0, "ffsim.wick.expectation_power"]], "expectation_product() (in module ffsim.wick)": [[0, "ffsim.wick.expectation_product"]], "ffsim": [[0, "module-ffsim"]], "ffsim.molecular_data": [[0, "module-ffsim.molecular_data"]], "ffsim.random": [[0, "module-ffsim.random"]], "ffsim.slow": [[0, "module-ffsim.slow"]], "ffsim.states": [[0, "module-ffsim.states"]], "ffsim.testing": [[0, "module-ffsim.testing"]], "ffsim.wick": [[0, "module-ffsim.wick"]], "gen_orbital_rotation_index_in_place_slow() (in module ffsim.slow)": [[0, "ffsim.slow.gen_orbital_rotation_index_in_place_slow"]], "module": [[0, "module-ffsim"], [0, "module-ffsim.molecular_data"], [0, "module-ffsim.random"], [0, "module-ffsim.slow"], [0, "module-ffsim.states"], [0, "module-ffsim.testing"], [0, "module-ffsim.wick"], [1, "module-ffsim.contract"], [1, "module-ffsim.contract.diag_coulomb"], [1, "module-ffsim.contract.hamiltonian"], [1, "module-ffsim.contract.num_op_sum"], [2, "module-ffsim.gates"], [2, "module-ffsim.gates.diag_coulomb"], [2, "module-ffsim.gates.gates"], [2, "module-ffsim.gates.num_op_sum"], [2, "module-ffsim.gates.orbital_rotation"], [3, "module-ffsim.hamiltonians"], [3, "module-ffsim.hamiltonians.double_factorized_hamiltonian"], [3, "module-ffsim.hamiltonians.molecular_hamiltonian"], [4, "module-ffsim.linalg"], [4, "module-ffsim.linalg.double_factorized"], [4, "module-ffsim.linalg.givens"], [4, "module-ffsim.linalg.linalg"], [4, "module-ffsim.linalg.predicates"], [5, "module-ffsim.protocols"], [5, "module-ffsim.protocols.linear_operator"], [5, "module-ffsim.protocols.trace"], [6, "module-ffsim.trotter"], [6, "module-ffsim.trotter.qdrift"], [6, "module-ffsim.trotter.trotter"], [7, "module-ffsim.variational"], [7, "module-ffsim.variational.lucj"]], "one_hot() (in module ffsim.states)": [[0, "ffsim.states.one_hot"]], "random_antihermitian() (in module ffsim.random)": [[0, "ffsim.random.random_antihermitian"]], "random_hermitian() (in module ffsim.random)": [[0, "ffsim.random.random_hermitian"]], "random_nelec() (in module ffsim.testing)": [[0, "ffsim.testing.random_nelec"]], "random_occupied_orbitals() (in module ffsim.testing)": [[0, "ffsim.testing.random_occupied_orbitals"]], "random_orthogonal() (in module ffsim.random)": [[0, "ffsim.random.random_orthogonal"]], "random_real_symmetric_matrix() (in module ffsim.random)": [[0, "ffsim.random.random_real_symmetric_matrix"]], "random_special_orthogonal() (in module ffsim.random)": [[0, "ffsim.random.random_special_orthogonal"]], "random_statevector() (in module ffsim.random)": [[0, "ffsim.random.random_statevector"]], "random_t2_amplitudes() (in module ffsim.random)": [[0, "ffsim.random.random_t2_amplitudes"]], "random_two_body_tensor_real() (in module ffsim.random)": [[0, "ffsim.random.random_two_body_tensor_real"]], "random_unitary() (in module ffsim.random)": [[0, "ffsim.random.random_unitary"]], "slater_determinant() (in module ffsim.states)": [[0, "ffsim.states.slater_determinant"]], "slater_determinant_one_rdm() (in module ffsim.states)": [[0, "ffsim.states.slater_determinant_one_rdm"]], "contract_diag_coulomb() (in module ffsim.contract.diag_coulomb)": [[1, "ffsim.contract.diag_coulomb.contract_diag_coulomb"]], "contract_num_op_sum() (in module ffsim.contract.num_op_sum)": [[1, "ffsim.contract.num_op_sum.contract_num_op_sum"]], "diag_coulomb_linop() (in module ffsim.contract.diag_coulomb)": [[1, "ffsim.contract.diag_coulomb.diag_coulomb_linop"]], "ffsim.contract": [[1, "module-ffsim.contract"]], "ffsim.contract.diag_coulomb": [[1, "module-ffsim.contract.diag_coulomb"]], "ffsim.contract.hamiltonian": [[1, "module-ffsim.contract.hamiltonian"]], "ffsim.contract.num_op_sum": [[1, "module-ffsim.contract.num_op_sum"]], "hamiltonian_linop() (in module ffsim.contract.hamiltonian)": [[1, "ffsim.contract.hamiltonian.hamiltonian_linop"]], "hamiltonian_trace() (in module ffsim.contract.hamiltonian)": [[1, "ffsim.contract.hamiltonian.hamiltonian_trace"]], "num_op_sum_linop() (in module ffsim.contract.num_op_sum)": [[1, "ffsim.contract.num_op_sum.num_op_sum_linop"]], "apply_diag_coulomb_evolution() (in module ffsim.gates.diag_coulomb)": [[2, "ffsim.gates.diag_coulomb.apply_diag_coulomb_evolution"]], "apply_givens_rotation() (in module ffsim.gates.gates)": [[2, "ffsim.gates.gates.apply_givens_rotation"]], "apply_num_interaction() (in module ffsim.gates.gates)": [[2, "ffsim.gates.gates.apply_num_interaction"]], "apply_num_op_prod_interaction() (in module ffsim.gates.gates)": [[2, "ffsim.gates.gates.apply_num_op_prod_interaction"]], "apply_num_op_sum_evolution() (in module ffsim.gates.num_op_sum)": [[2, "ffsim.gates.num_op_sum.apply_num_op_sum_evolution"]], "apply_orbital_rotation() (in module ffsim.gates.orbital_rotation)": [[2, "ffsim.gates.orbital_rotation.apply_orbital_rotation"]], "apply_tunneling_interaction() (in module ffsim.gates.gates)": [[2, "ffsim.gates.gates.apply_tunneling_interaction"]], "ffsim.gates": [[2, "module-ffsim.gates"]], "ffsim.gates.diag_coulomb": [[2, "module-ffsim.gates.diag_coulomb"]], "ffsim.gates.gates": [[2, "module-ffsim.gates.gates"]], "ffsim.gates.num_op_sum": [[2, "module-ffsim.gates.num_op_sum"]], "ffsim.gates.orbital_rotation": [[2, "module-ffsim.gates.orbital_rotation"]], "gen_orbital_rotation_index() (in module ffsim.gates.orbital_rotation)": [[2, "ffsim.gates.orbital_rotation.gen_orbital_rotation_index"]], "doublefactorizedhamiltonian (class in ffsim.hamiltonians.double_factorized_hamiltonian)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian"]], "molecularhamiltonian (class in ffsim.hamiltonians.molecular_hamiltonian)": [[3, "ffsim.hamiltonians.molecular_hamiltonian.MolecularHamiltonian"]], "constant (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian attribute)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.constant"]], "constant (ffsim.hamiltonians.molecular_hamiltonian.molecularhamiltonian attribute)": [[3, "ffsim.hamiltonians.molecular_hamiltonian.MolecularHamiltonian.constant"]], "diag_coulomb_mats (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian attribute)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.diag_coulomb_mats"]], "double_factorized_hamiltonian() (in module ffsim.hamiltonians.double_factorized_hamiltonian)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.double_factorized_hamiltonian"]], "ffsim.hamiltonians": [[3, "module-ffsim.hamiltonians"]], "ffsim.hamiltonians.double_factorized_hamiltonian": [[3, "module-ffsim.hamiltonians.double_factorized_hamiltonian"]], "ffsim.hamiltonians.molecular_hamiltonian": [[3, "module-ffsim.hamiltonians.molecular_hamiltonian"]], "norb (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian property)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.norb"]], "norb (ffsim.hamiltonians.molecular_hamiltonian.molecularhamiltonian property)": [[3, "ffsim.hamiltonians.molecular_hamiltonian.MolecularHamiltonian.norb"]], "one_body_tensor (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian attribute)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.one_body_tensor"]], "one_body_tensor (ffsim.hamiltonians.molecular_hamiltonian.molecularhamiltonian attribute)": [[3, "ffsim.hamiltonians.molecular_hamiltonian.MolecularHamiltonian.one_body_tensor"]], "orbital_rotations (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian attribute)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.orbital_rotations"]], "to_number_representation() (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian method)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.to_number_representation"]], "to_z_representation() (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian method)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.to_z_representation"]], "two_body_tensor (ffsim.hamiltonians.molecular_hamiltonian.molecularhamiltonian attribute)": [[3, "ffsim.hamiltonians.molecular_hamiltonian.MolecularHamiltonian.two_body_tensor"]], "z_representation (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian attribute)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.z_representation"]], "apply_matrix_to_slices() (in module ffsim.linalg.givens)": [[4, "ffsim.linalg.givens.apply_matrix_to_slices"]], "double_factorized() (in module ffsim.linalg.double_factorized)": [[4, "ffsim.linalg.double_factorized.double_factorized"]], "double_factorized_t2() (in module ffsim.linalg.double_factorized)": [[4, "ffsim.linalg.double_factorized.double_factorized_t2"]], "expm_multiply_taylor() (in module ffsim.linalg.linalg)": [[4, "ffsim.linalg.linalg.expm_multiply_taylor"]], "ffsim.linalg": [[4, "module-ffsim.linalg"]], "ffsim.linalg.double_factorized": [[4, "module-ffsim.linalg.double_factorized"]], "ffsim.linalg.givens": [[4, "module-ffsim.linalg.givens"]], "ffsim.linalg.linalg": [[4, "module-ffsim.linalg.linalg"]], "ffsim.linalg.predicates": [[4, "module-ffsim.linalg.predicates"]], "givens_decomposition() (in module ffsim.linalg.givens)": [[4, "ffsim.linalg.givens.givens_decomposition"]], "givens_matrix() (in module ffsim.linalg.givens)": [[4, "ffsim.linalg.givens.givens_matrix"]], "is_antihermitian() (in module ffsim.linalg.predicates)": [[4, "ffsim.linalg.predicates.is_antihermitian"]], "is_hermitian() (in module ffsim.linalg.predicates)": [[4, "ffsim.linalg.predicates.is_hermitian"]], "is_orthogonal() (in module ffsim.linalg.predicates)": [[4, "ffsim.linalg.predicates.is_orthogonal"]], "is_real_symmetric() (in module ffsim.linalg.predicates)": [[4, "ffsim.linalg.predicates.is_real_symmetric"]], "is_special_orthogonal() (in module ffsim.linalg.predicates)": [[4, "ffsim.linalg.predicates.is_special_orthogonal"]], "is_unitary() (in module ffsim.linalg.predicates)": [[4, "ffsim.linalg.predicates.is_unitary"]], "lup() (in module ffsim.linalg.linalg)": [[4, "ffsim.linalg.linalg.lup"]], "modified_cholesky() (in module ffsim.linalg.double_factorized)": [[4, "ffsim.linalg.double_factorized.modified_cholesky"]], "optimal_diag_coulomb_mats() (in module ffsim.linalg.double_factorized)": [[4, "ffsim.linalg.double_factorized.optimal_diag_coulomb_mats"]], "supportslinearoperator (class in ffsim.protocols.linear_operator)": [[5, "ffsim.protocols.linear_operator.SupportsLinearOperator"]], "supportstrace (class in ffsim.protocols.trace)": [[5, "ffsim.protocols.trace.SupportsTrace"]], "ffsim.protocols": [[5, "module-ffsim.protocols"]], "ffsim.protocols.linear_operator": [[5, "module-ffsim.protocols.linear_operator"]], "ffsim.protocols.trace": [[5, "module-ffsim.protocols.trace"]], "linear_operator() (in module ffsim.protocols.linear_operator)": [[5, "ffsim.protocols.linear_operator.linear_operator"]], "trace() (in module ffsim.protocols.trace)": [[5, "ffsim.protocols.trace.trace"]], "expectation_squared_diag_coulomb() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.expectation_squared_diag_coulomb"]], "ffsim.trotter": [[6, "module-ffsim.trotter"]], "ffsim.trotter.qdrift": [[6, "module-ffsim.trotter.qdrift"]], "ffsim.trotter.trotter": [[6, "module-ffsim.trotter.trotter"]], "one_body_square_decomposition() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.one_body_square_decomposition"]], "qdrift_probabilities() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.qdrift_probabilities"]], "simulate_qdrift_double_factorized() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.simulate_qdrift_double_factorized"]], "simulate_trotter_double_factorized() (in module ffsim.trotter.trotter)": [[6, "ffsim.trotter.trotter.simulate_trotter_double_factorized"]], "spectral_norm_diag_coulomb() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.spectral_norm_diag_coulomb"]], "spectral_norm_one_body_tensor() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.spectral_norm_one_body_tensor"]], "variance_diag_coulomb() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.variance_diag_coulomb"]], "variance_one_body_tensor() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.variance_one_body_tensor"]], "ucjoperator (class in ffsim.variational.lucj)": [[7, "ffsim.variational.lucj.UCJOperator"]], "apply_ucj_operator() (in module ffsim.variational.lucj)": [[7, "ffsim.variational.lucj.apply_ucj_operator"]], "diag_coulomb_mats_alpha_alpha (ffsim.variational.lucj.ucjoperator attribute)": [[7, "ffsim.variational.lucj.UCJOperator.diag_coulomb_mats_alpha_alpha"]], "diag_coulomb_mats_alpha_beta (ffsim.variational.lucj.ucjoperator attribute)": [[7, "ffsim.variational.lucj.UCJOperator.diag_coulomb_mats_alpha_beta"]], "ffsim.variational": [[7, "module-ffsim.variational"]], "ffsim.variational.lucj": [[7, "module-ffsim.variational.lucj"]], "final_orbital_rotation (ffsim.variational.lucj.ucjoperator attribute)": [[7, "ffsim.variational.lucj.UCJOperator.final_orbital_rotation"]], "from_parameters() (ffsim.variational.lucj.ucjoperator static method)": [[7, "ffsim.variational.lucj.UCJOperator.from_parameters"]], "from_t_amplitudes() (ffsim.variational.lucj.ucjoperator static method)": [[7, "ffsim.variational.lucj.UCJOperator.from_t_amplitudes"]], "n_reps (ffsim.variational.lucj.ucjoperator property)": [[7, "ffsim.variational.lucj.UCJOperator.n_reps"]], "norb (ffsim.variational.lucj.ucjoperator property)": [[7, "ffsim.variational.lucj.UCJOperator.norb"]], "orbital_rotations (ffsim.variational.lucj.ucjoperator attribute)": [[7, "ffsim.variational.lucj.UCJOperator.orbital_rotations"]], "to_parameters() (ffsim.variational.lucj.ucjoperator method)": [[7, "ffsim.variational.lucj.UCJOperator.to_parameters"]], "to_t_amplitudes() (ffsim.variational.lucj.ucjoperator method)": [[7, "ffsim.variational.lucj.UCJOperator.to_t_amplitudes"]]}})
\ No newline at end of file
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ffsim.contract.diag_coulomb)": [[1, "ffsim.contract.diag_coulomb.contract_diag_coulomb"]], "contract_num_op_sum() (in module ffsim.contract.num_op_sum)": [[1, "ffsim.contract.num_op_sum.contract_num_op_sum"]], "diag_coulomb_linop() (in module ffsim.contract.diag_coulomb)": [[1, "ffsim.contract.diag_coulomb.diag_coulomb_linop"]], "ffsim.contract": [[1, "module-ffsim.contract"]], "ffsim.contract.diag_coulomb": [[1, "module-ffsim.contract.diag_coulomb"]], "ffsim.contract.hamiltonian": [[1, "module-ffsim.contract.hamiltonian"]], "ffsim.contract.num_op_sum": [[1, "module-ffsim.contract.num_op_sum"]], "hamiltonian_linop() (in module ffsim.contract.hamiltonian)": [[1, "ffsim.contract.hamiltonian.hamiltonian_linop"]], "hamiltonian_trace() (in module ffsim.contract.hamiltonian)": [[1, "ffsim.contract.hamiltonian.hamiltonian_trace"]], "num_op_sum_linop() (in module ffsim.contract.num_op_sum)": [[1, "ffsim.contract.num_op_sum.num_op_sum_linop"]], "apply_diag_coulomb_evolution() (in module 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"ffsim.gates.num_op_sum": [[2, "module-ffsim.gates.num_op_sum"]], "ffsim.gates.orbital_rotation": [[2, "module-ffsim.gates.orbital_rotation"]], "gen_orbital_rotation_index() (in module ffsim.gates.orbital_rotation)": [[2, "ffsim.gates.orbital_rotation.gen_orbital_rotation_index"]], "doublefactorizedhamiltonian (class in ffsim.hamiltonians.double_factorized_hamiltonian)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian"]], "molecularhamiltonian (class in ffsim.hamiltonians.molecular_hamiltonian)": [[3, "ffsim.hamiltonians.molecular_hamiltonian.MolecularHamiltonian"]], "constant (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian attribute)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.constant"]], "constant (ffsim.hamiltonians.molecular_hamiltonian.molecularhamiltonian attribute)": [[3, "ffsim.hamiltonians.molecular_hamiltonian.MolecularHamiltonian.constant"]], "diag_coulomb_mats (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian attribute)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.diag_coulomb_mats"]], "double_factorized_hamiltonian() (in module ffsim.hamiltonians.double_factorized_hamiltonian)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.double_factorized_hamiltonian"]], "ffsim.hamiltonians": [[3, "module-ffsim.hamiltonians"]], "ffsim.hamiltonians.double_factorized_hamiltonian": [[3, "module-ffsim.hamiltonians.double_factorized_hamiltonian"]], "ffsim.hamiltonians.molecular_hamiltonian": [[3, "module-ffsim.hamiltonians.molecular_hamiltonian"]], "norb (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian property)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.norb"]], "norb (ffsim.hamiltonians.molecular_hamiltonian.molecularhamiltonian property)": [[3, "ffsim.hamiltonians.molecular_hamiltonian.MolecularHamiltonian.norb"]], "one_body_tensor (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian attribute)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.one_body_tensor"]], "one_body_tensor (ffsim.hamiltonians.molecular_hamiltonian.molecularhamiltonian attribute)": [[3, "ffsim.hamiltonians.molecular_hamiltonian.MolecularHamiltonian.one_body_tensor"]], "orbital_rotations (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian attribute)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.orbital_rotations"]], "to_number_representation() (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian method)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.to_number_representation"]], "to_z_representation() (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian method)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.to_z_representation"]], "two_body_tensor (ffsim.hamiltonians.molecular_hamiltonian.molecularhamiltonian attribute)": [[3, "ffsim.hamiltonians.molecular_hamiltonian.MolecularHamiltonian.two_body_tensor"]], "z_representation (ffsim.hamiltonians.double_factorized_hamiltonian.doublefactorizedhamiltonian attribute)": [[3, "ffsim.hamiltonians.double_factorized_hamiltonian.DoubleFactorizedHamiltonian.z_representation"]], "apply_matrix_to_slices() (in module ffsim.linalg.givens)": [[4, "ffsim.linalg.givens.apply_matrix_to_slices"]], "double_factorized() (in module ffsim.linalg.double_factorized)": [[4, "ffsim.linalg.double_factorized.double_factorized"]], "double_factorized_t2() (in module ffsim.linalg.double_factorized)": [[4, "ffsim.linalg.double_factorized.double_factorized_t2"]], "expm_multiply_taylor() (in module 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"ffsim.linalg.predicates.is_real_symmetric"]], "is_special_orthogonal() (in module ffsim.linalg.predicates)": [[4, "ffsim.linalg.predicates.is_special_orthogonal"]], "is_unitary() (in module ffsim.linalg.predicates)": [[4, "ffsim.linalg.predicates.is_unitary"]], "lup() (in module ffsim.linalg.linalg)": [[4, "ffsim.linalg.linalg.lup"]], "modified_cholesky() (in module ffsim.linalg.double_factorized)": [[4, "ffsim.linalg.double_factorized.modified_cholesky"]], "optimal_diag_coulomb_mats() (in module ffsim.linalg.double_factorized)": [[4, "ffsim.linalg.double_factorized.optimal_diag_coulomb_mats"]], "supportslinearoperator (class in ffsim.protocols.linear_operator)": [[5, "ffsim.protocols.linear_operator.SupportsLinearOperator"]], "supportstrace (class in ffsim.protocols.trace)": [[5, "ffsim.protocols.trace.SupportsTrace"]], "ffsim.protocols": [[5, "module-ffsim.protocols"]], "ffsim.protocols.linear_operator": [[5, "module-ffsim.protocols.linear_operator"]], "ffsim.protocols.trace": [[5, "module-ffsim.protocols.trace"]], "linear_operator() (in module ffsim.protocols.linear_operator)": [[5, "ffsim.protocols.linear_operator.linear_operator"]], "trace() (in module ffsim.protocols.trace)": [[5, "ffsim.protocols.trace.trace"]], "expectation_squared_diag_coulomb() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.expectation_squared_diag_coulomb"]], "ffsim.trotter": [[6, "module-ffsim.trotter"]], "ffsim.trotter.qdrift": [[6, "module-ffsim.trotter.qdrift"]], "ffsim.trotter.trotter": [[6, "module-ffsim.trotter.trotter"]], "one_body_square_decomposition() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.one_body_square_decomposition"]], "qdrift_probabilities() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.qdrift_probabilities"]], "simulate_qdrift_double_factorized() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.simulate_qdrift_double_factorized"]], "simulate_trotter_double_factorized() (in module ffsim.trotter.trotter)": [[6, "ffsim.trotter.trotter.simulate_trotter_double_factorized"]], "spectral_norm_diag_coulomb() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.spectral_norm_diag_coulomb"]], "spectral_norm_one_body_tensor() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.spectral_norm_one_body_tensor"]], "variance_diag_coulomb() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.variance_diag_coulomb"]], "variance_one_body_tensor() (in module ffsim.trotter.qdrift)": [[6, "ffsim.trotter.qdrift.variance_one_body_tensor"]], "ucjoperator (class in ffsim.variational.lucj)": [[7, "ffsim.variational.lucj.UCJOperator"]], "apply_ucj_operator() (in module ffsim.variational.lucj)": [[7, "ffsim.variational.lucj.apply_ucj_operator"]], "diag_coulomb_mats_alpha_alpha (ffsim.variational.lucj.ucjoperator attribute)": [[7, "ffsim.variational.lucj.UCJOperator.diag_coulomb_mats_alpha_alpha"]], "diag_coulomb_mats_alpha_beta (ffsim.variational.lucj.ucjoperator attribute)": [[7, "ffsim.variational.lucj.UCJOperator.diag_coulomb_mats_alpha_beta"]], "ffsim.variational": [[7, "module-ffsim.variational"]], "ffsim.variational.lucj": [[7, "module-ffsim.variational.lucj"]], "final_orbital_rotation (ffsim.variational.lucj.ucjoperator attribute)": [[7, "ffsim.variational.lucj.UCJOperator.final_orbital_rotation"]], "from_parameters() (ffsim.variational.lucj.ucjoperator static method)": [[7, "ffsim.variational.lucj.UCJOperator.from_parameters"]], "from_t_amplitudes() (ffsim.variational.lucj.ucjoperator static method)": [[7, "ffsim.variational.lucj.UCJOperator.from_t_amplitudes"]], "n_reps (ffsim.variational.lucj.ucjoperator property)": [[7, "ffsim.variational.lucj.UCJOperator.n_reps"]], "norb (ffsim.variational.lucj.ucjoperator property)": [[7, "ffsim.variational.lucj.UCJOperator.norb"]], "orbital_rotations (ffsim.variational.lucj.ucjoperator attribute)": [[7, "ffsim.variational.lucj.UCJOperator.orbital_rotations"]], "to_parameters() (ffsim.variational.lucj.ucjoperator method)": [[7, "ffsim.variational.lucj.UCJOperator.to_parameters"]], "to_t_amplitudes() (ffsim.variational.lucj.ucjoperator method)": [[7, "ffsim.variational.lucj.UCJOperator.to_t_amplitudes"]]}})
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diff --git a/tutorials/01-introduction.html b/tutorials/01-introduction.html
index 23354e262..866040844 100644
--- a/tutorials/01-introduction.html
+++ b/tutorials/01-introduction.html
@@ -161,7 +161,7 @@ Quick search
©2023, IBM.
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index ad7d9f2a8..6029431d7 100644
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@@ -62,10 +62,10 @@
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@@ -92,10 +92,10 @@
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diff --git a/tutorials/02-orbital-rotation.html b/tutorials/02-orbital-rotation.html
index 1a19cae2e..88e0cf24b 100644
--- a/tutorials/02-orbital-rotation.html
+++ b/tutorials/02-orbital-rotation.html
@@ -229,7 +229,7 @@ Quick search
©2023, IBM.
|
- Powered by Sphinx 7.2.5
+ Powered by Sphinx 7.2.6
& Alabaster 0.7.13
|
diff --git a/tutorials/02-orbital-rotation.ipynb b/tutorials/02-orbital-rotation.ipynb
index 37d0723e8..5a83bace4 100644
--- a/tutorials/02-orbital-rotation.ipynb
+++ b/tutorials/02-orbital-rotation.ipynb
@@ -43,10 +43,10 @@
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"outputs": [],
@@ -111,10 +111,10 @@
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@@ -160,10 +160,10 @@
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"outputs": [],
@@ -203,10 +203,10 @@
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"outputs": [],
diff --git a/tutorials/03-double-factorized.html b/tutorials/03-double-factorized.html
index 669da39f7..8b6da9752 100644
--- a/tutorials/03-double-factorized.html
+++ b/tutorials/03-double-factorized.html
@@ -136,44 +136,44 @@