deploy: 482fb05

Author: snuffkin

.buildinfo

@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: e29239de2751c697d5661394821f1344
+config: d48dd6dbfa337783565b3f5a7b13493b
 tags: 645f666f9bcd5a90fca523b33c5a78b7

_sources/notebooks/02_01_basics.ipynb

@@ -338,7 +338,7 @@
    "outputs": [],
    "source": [
     "import pygridsynth\n",
-    "from qiskit.circuit.library import HGate\n",
+    "from qiskit.circuit.library import HGate, RZGate\n",
     "# generate string consisting of {T,H,S,W} which corresponds to Rz(theta) with precision epsilon\n",
     "# W corresponds to global phase shift of pi/4\n",
     "theta = np.random.rand()\n",
@@ -358,7 +358,6 @@
     "unitary = get_unitary_from_circuit(qc)\n",
     "print(\"error: \", np.linalg.norm(get_unitary_from_circuit(qc) - RZGate(theta).to_matrix()))\n",
     "display_complex_matrix(get_unitary_from_circuit(qc), title=\"Unitary of circuit\")\n",
-    "from qiskit.circuit.library import RZGate\n",
     "display_complex_matrix(RZGate(theta).to_matrix(), title=\"Exact Rz\")"
    ]
   },

notebooks/02_01_basics.html

@@ -625,7 +625,7 @@ <h1>1 量子ビットゲートを H, T, S だけで表現する<a class="headerl
 </pre></div>
 </div>
 <div class="input_area highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">import</span><span class="w"> </span><span class="nn">pygridsynth</span>
-<span class="kn">from</span><span class="w"> </span><span class="nn">qiskit.circuit.library</span><span class="w"> </span><span class="kn">import</span> <span class="n">HGate</span>
+<span class="kn">from</span><span class="w"> </span><span class="nn">qiskit.circuit.library</span><span class="w"> </span><span class="kn">import</span> <span class="n">HGate</span><span class="p">,</span> <span class="n">RZGate</span>
 <span class="c1"># generate string consisting of {T,H,S,W} which corresponds to Rz(theta) with precision epsilon</span>
 <span class="c1"># W corresponds to global phase shift of pi/4</span>
 <span class="n">theta</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">random</span><span class="o">.</span><span class="n">rand</span><span class="p">()</span>
@@ -645,7 +645,6 @@ <h1>1 量子ビットゲートを H, T, S だけで表現する<a class="headerl
 <span class="n">unitary</span> <span class="o">=</span> <span class="n">get_unitary_from_circuit</span><span class="p">(</span><span class="n">qc</span><span class="p">)</span>
 <span class="nb">print</span><span class="p">(</span><span class="s2">&quot;error: &quot;</span><span class="p">,</span> <span class="n">np</span><span class="o">.</span><span class="n">linalg</span><span class="o">.</span><span class="n">norm</span><span class="p">(</span><span class="n">get_unitary_from_circuit</span><span class="p">(</span><span class="n">qc</span><span class="p">)</span> <span class="o">-</span> <span class="n">RZGate</span><span class="p">(</span><span class="n">theta</span><span class="p">)</span><span class="o">.</span><span class="n">to_matrix</span><span class="p">()))</span>
 <span class="n">display_complex_matrix</span><span class="p">(</span><span class="n">get_unitary_from_circuit</span><span class="p">(</span><span class="n">qc</span><span class="p">),</span> <span class="n">title</span><span class="o">=</span><span class="s2">&quot;Unitary of circuit&quot;</span><span class="p">)</span>
-<span class="kn">from</span><span class="w"> </span><span class="nn">qiskit.circuit.library</span><span class="w"> </span><span class="kn">import</span> <span class="n">RZGate</span>
 <span class="n">display_complex_matrix</span><span class="p">(</span><span class="n">RZGate</span><span class="p">(</span><span class="n">theta</span><span class="p">)</span><span class="o">.</span><span class="n">to_matrix</span><span class="p">(),</span> <span class="n">title</span><span class="o">=</span><span class="s2">&quot;Exact Rz&quot;</span><span class="p">)</span>
 </pre></div>
 </div>

notebooks/02_01_basics.ipynb

@@ -338,7 +338,7 @@
    "outputs": [],
    "source": [
     "import pygridsynth\n",
-    "from qiskit.circuit.library import HGate\n",
+    "from qiskit.circuit.library import HGate, RZGate\n",
     "# generate string consisting of {T,H,S,W} which corresponds to Rz(theta) with precision epsilon\n",
     "# W corresponds to global phase shift of pi/4\n",
     "theta = np.random.rand()\n",
@@ -358,7 +358,6 @@
     "unitary = get_unitary_from_circuit(qc)\n",
     "print(\"error: \", np.linalg.norm(get_unitary_from_circuit(qc) - RZGate(theta).to_matrix()))\n",
     "display_complex_matrix(get_unitary_from_circuit(qc), title=\"Unitary of circuit\")\n",
-    "from qiskit.circuit.library import RZGate\n",
     "display_complex_matrix(RZGate(theta).to_matrix(), title=\"Exact Rz\")"
    ]
   },

notebooks/05_04_compute_chemical_properties_using_Qamuy.html

@@ -1724,7 +1724,7 @@ <h2>2. 分子振動の計算<a class="headerlink" href="#2.-分子振動の計
 </section>
 <section id="簡単な化学反応計算（アンモニアの傘反転）">
 <h2>簡単な化学反応計算（アンモニアの傘反転）<a class="headerlink" href="#簡単な化学反応計算（アンモニアの傘反転）" title="Link to this heading">#</a></h2>
-<p>アンモニア(NH3)は既に見てきたように、Nを頂点としてHが３つ傘のように広がった構造をとっています。 この傘がひっくり返っても、対称性からもとの構造と同じNH3が得られます。 このNH3のNを中心とした反転運動を化学反応の簡単な例として見ていきたいと思います。 <img alt="3ec45cfc1ba2433eaac54d0bd1abe2fb" src="https://upload.wikimedia.org/wikipedia/commons/2/2d/Nitrogen-inversion-3D-balls.png" /> （photo taken from <a class="reference external" href="https://en.wikipedia.org/wiki/Pyramidal_inversion">https://en.wikipedia.org/wiki/Pyramidal_inversion</a> )</p>
+<p>アンモニア(NH3)は既に見てきたように、Nを頂点としてHが３つ傘のように広がった構造をとっています。 この傘がひっくり返っても、対称性からもとの構造と同じNH3が得られます。 このNH3のNを中心とした反転運動を化学反応の簡単な例として見ていきたいと思います。 <img alt="56772bf22b8e41a89dc6627dbfc666bc" src="https://upload.wikimedia.org/wikipedia/commons/2/2d/Nitrogen-inversion-3D-balls.png" /> （photo taken from <a class="reference external" href="https://en.wikipedia.org/wiki/Pyramidal_inversion">https://en.wikipedia.org/wiki/Pyramidal_inversion</a> )</p>
 <p>この反転運動は、反応物と生成物が同じ構造です。既に両者の構造とエネルギーは先程の構造最適化で得られています。 化学反応においては、遷移状態(Transition State, TS)と呼ばれる極小点同士を結ぶ反応経路上にある一次の鞍点（最小エネルギー反応経路上の極大点）が、その反応を特徴づける点として重要になってきます。 では、この反応の遷移状態を求めてみます。 この反応は対称性が高い反応で、遷移状態は平面構造を取ることがわかります。 初期構造に平面構造を選んで構造最適化をすればこの反応の遷移状態は得られます。</p>
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