ffsim 0.0.82__tar.gz → 0.0.83__tar.gz

{ffsim-0.0.82 → ffsim-0.0.83}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: ffsim
-Version: 0.0.82
+Version: 0.0.83
 Classifier: License :: OSI Approved :: Apache Software License
 Classifier: Programming Language :: Python
 Classifier: Programming Language :: Python :: 3 :: Only

{ffsim-0.0.82 → ffsim-0.0.83}/docs/explanations/lucj.ipynb

@@ -48,10 +48,10 @@
     "With this setup, orbitals with the same spin are connected with a line topology, while orbitals with different spins are connected when they share the same spatial orbital. This yields the following index constraints on the $\\mathbf{J}$ matrices:\n",
     "\n",
     "$$\n",
-    "\\begin{align*}\n",
+    "\\begin{aligned}\n",
     "\\mathbf{J}^{\\alpha\\alpha} &: \\set{(p, p+1) \\; , \\; p = 0, \\ldots, N-2} \\\\\n",
     "\\mathbf{J}^{\\alpha\\beta} &: \\set{(p, p) \\;, \\; p = 0, \\ldots, N-1}\n",
-    "\\end{align*}\n",
+    "\\end{aligned}\n",
     "$$\n",
     "\n",
     "In other words, if the $\\mathbf{J}$ matrices are nonzero only at the specified indices in the upper triangle, then the $e^{i \\mathcal{J}_k}$ term can be implemented on a square topology without using any swap gates, in constant depth. Of course, imposing such constraints on the ansatz makes it less expressive, so more ansatz repetitions may be required.\n"
@@ -121,10 +121,10 @@
     "\n",
     "The LUCJ ansatz specifies connectivity constraints described by index sets $S_{\\alpha \\alpha}$ and $S_{\\alpha \\beta}$. For example, for square lattice connectivity, the sets are\n",
     "$$\n",
-    "\\begin{align*}\n",
+    "\\begin{aligned}\n",
     "S_{\\alpha \\alpha} &= \\set{(p, p+1) \\; , \\; p = 0, \\ldots, N-2} \\\\\n",
     "S_{\\alpha \\beta} &= \\set{(p, p) \\;, \\; p = 0, \\ldots, N-1}\n",
-    "\\end{align*}\n",
+    "\\end{aligned}\n",
     "$$\n",
     "The index sets specify which diagonal Coulomb interactions are permitted, corresponding to which entries of the $Z^{(k)}$ matrices are allowed to be nonzero. Because the expression for the $t_2$-amplitudes does not distinguish separate $Z^{(k)}$ matrices for same-spin and opposite-spin interactions, we use a heuristic in which, during the optimization, entries of the $Z^{(k)}$ matrices with indices that appear in either set are allowed to be nonzero. As a result, some interactions still need to be discarded when constructing the LUCJ ansatz, but fewer than if no constraints were considered at all.\n",
     "\n",

{ffsim-0.0.82 → ffsim-0.0.83}/docs/explanations/orbital-rotation.ipynb

@@ -13,9 +13,9 @@
     "An orbital rotation is described by an $N \\times N$ unitary matrix $\\mathbf{U}$ (here $N$ is the number spatial orbitals), and we denote the corresponding operator as $\\mathcal{U}$. This operator has the following action on the fermionic creation operators $\\set{a^\\dagger_{i\\sigma}}$:\n",
     "\n",
     "$$\n",
-    "\\begin{align*}\n",
+    "\\begin{aligned}\n",
     "    \\mathcal{U} a^\\dagger_{i\\sigma} \\mathcal{U}^\\dagger = \\sum_j \\mathbf{U}_{ji} a^\\dagger_{j\\sigma}.\n",
-    "\\end{align*}\n",
+    "\\end{aligned}\n",
     "$$\n",
     "\n",
     "That is, $a^\\dagger_{i\\sigma}$ is mapped to a new operator $b^\\dagger_{i\\sigma}$ where $b^\\dagger_{i\\sigma}$ is a linear combination of the operators $\\set{a^\\dagger_{i\\sigma}}$ with coefficients given by the $i$-th column of $\\mathbf{U}$. The fact that $\\mathbf{U}$ is unitary can be used, together with the fermionic anticommutation relations, to show that the $\\set{b^\\dagger_{i\\sigma}}$ also satisfy the fermionic anticommutation relations. Thus, the $b^\\dagger_{i\\sigma}$ are creation operators in a rotated basis of orbitals.\n",
@@ -25,10 +25,10 @@
     "It is a theorem that $\\mathcal{U}$ can be written explicitly as\n",
     "\n",
     "$$\n",
-    "\\begin{align*}\n",
+    "\\begin{aligned}\n",
     "    \\mathcal{U} = \\prod_{\\sigma}\n",
-    "    \\exp\\left[\\sum_{ij} \\log\\left(\\mathbf{U}\\right)_{ij} a^\\dagger_{i\\sigma} a_{j\\sigma}\\right]\n",
-    "\\end{align*}.\n",
+    "    \\exp\\left[\\sum_{ij} \\log\\left(\\mathbf{U}\\right)_{ij} a^\\dagger_{i\\sigma} a_{j\\sigma}\\right] .\n",
+    "\\end{aligned}\n",
     "$$\n",
     "Sometimes, it is useful to specify the orbital rotation via the antihermitian matrix $\\mathbf{K} = \\log(\\mathbf{U})$ rather than $\\mathbf{U}$ itself. However, ffsim generally represents orbital rotations using the unitary matrix $\\mathbf{U}$.\n",
     "\n",
@@ -37,10 +37,10 @@
     "The mapping $\\mathbf{U} \\mapsto \\mathcal{U}$ satisfies the important homomorphism property:\n",
     "\n",
     "$$\n",
-    "\\begin{align*}\n",
+    "\\begin{aligned}\n",
     "    \\mathbf{U}^\\dagger &\\mapsto \\mathcal{U}^\\dagger, \\\\\n",
     "    \\mathbf{U}_1 \\mathbf{U}_2 &\\mapsto \\mathcal{U}_1 \\mathcal{U}_2\n",
-    "\\end{align*}\n",
+    "\\end{aligned}\n",
     "$$\n",
     "\n",
     "for any unitary matrices $\\mathbf{U}$, $\\mathbf{U}_1$, and $\\mathbf{U}_2$.\n",
@@ -50,11 +50,11 @@
     "The definitions given above assume that the same orbital rotation applies to both the spin-up and spin-down orbitals. However, it is possible for each spin sector to have an independent orbital rotation, in which case a pair of unitary matrices $(\\mathbf{U}^\\alpha, \\mathbf{U}^\\beta)$ needs to be specified. Letting $\\mathbf{K}^\\sigma = \\log(\\mathbf{U}^\\sigma)$, the definitions above then become\n",
     "\n",
     "$$\n",
-    "\\begin{align*}\n",
+    "\\begin{aligned}\n",
     "    \\mathcal{U} a^\\dagger_{i\\sigma} \\mathcal{U}^\\dagger &= \\sum_j \\mathbf{U}^{\\sigma}_{ji} a^\\dagger_{j\\sigma}, \\\\\n",
     "    \\mathcal{U} &= \\prod_{\\sigma}\n",
     "    \\exp\\left[\\sum_{ij} \\log\\left(\\mathbf{U}^{\\sigma}\\right)_{ij} a^\\dagger_{i\\sigma} a_{j\\sigma}\\right].\n",
-    "\\end{align*}\n",
+    "\\end{aligned}\n",
     "$$\n",
     "\n",
     "## Application to time evolution by a quadratic Hamiltonian\n",

{ffsim-0.0.82 → ffsim-0.0.83}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "maturin"
 [project]
 name = "ffsim"
 requires-python = ">=3.11"
-version = "0.0.82"
+version = "0.0.83"
 description = "Faster simulation of fermionic quantum circuits."
 readme = "README.md"
 license = { file = "LICENSE" }

{ffsim-0.0.82 → ffsim-0.0.83}/uv.lock

@@ -566,7 +566,7 @@ wheels = [
 
 [[package]]
 name = "ffsim"
-version = "0.0.82.dev0"
+version = "0.0.83"
 source = { editable = "." }
 dependencies = [
     { name = "jax" },