deploy: EDRIXS/edrixs@7d59bb2

NSLS-II · Jan 9, 2025 · 3e78135 · 3e78135
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diff --git a/edrixs/_downloads/035c26b1ad9f588aad9be97f7dfeb5dd/example_5_charge_transfer.zip b/edrixs/_downloads/035c26b1ad9f588aad9be97f7dfeb5dd/example_5_charge_transfer.zip
diff --git a/edrixs/_downloads/07fcc19ba03226cd3d83d4e40ec44385/auto_examples_python.zip b/edrixs/_downloads/07fcc19ba03226cd3d83d4e40ec44385/auto_examples_python.zip
diff --git a/edrixs/_downloads/1fb87beae3a9a15ab459eecd26981314/example_0_ed_calculator.zip b/edrixs/_downloads/1fb87beae3a9a15ab459eecd26981314/example_0_ed_calculator.zip
diff --git a/edrixs/_downloads/2e37cda7a0a2ee2e93473633fae9ca50/example_1_crystal_field.zip b/edrixs/_downloads/2e37cda7a0a2ee2e93473633fae9ca50/example_1_crystal_field.zip
diff --git a/edrixs/_downloads/37c91286a883108afd6bd1f2ad87920c/example_3_AIM_XAS.ipynb b/edrixs/_downloads/37c91286a883108afd6bd1f2ad87920c/example_3_AIM_XAS.ipynb
@@ -445,7 +445,7 @@
       "name": "python",
       "nbconvert_exporter": "python",
       "pygments_lexer": "ipython3",
-      "version": "3.10.14"
+      "version": "3.10.16"
     }
   },
   "nbformat": 4,

diff --git a/edrixs/_downloads/3c5626e47a8dbeace785112f693da4eb/example_1_crystal_field.ipynb b/edrixs/_downloads/3c5626e47a8dbeace785112f693da4eb/example_1_crystal_field.ipynb
@@ -297,7 +297,7 @@
       "name": "python",
       "nbconvert_exporter": "python",
       "pygments_lexer": "ipython3",
-      "version": "3.10.14"
+      "version": "3.10.16"
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diff --git a/edrixs/_downloads/549f42a520207f2312c42f9bc1883308/example_2_single_atom_RIXS.zip b/edrixs/_downloads/549f42a520207f2312c42f9bc1883308/example_2_single_atom_RIXS.zip
diff --git a/edrixs/_downloads/66f2a6da335f3f194c2adc5e82be4b27/example_8_Hunds_interactions.ipynb b/edrixs/_downloads/66f2a6da335f3f194c2adc5e82be4b27/example_8_Hunds_interactions.ipynb
@@ -185,7 +185,7 @@
       "name": "python",
       "nbconvert_exporter": "python",
       "pygments_lexer": "ipython3",
-      "version": "3.10.14"
+      "version": "3.10.16"
     }
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diff --git a/edrixs/_downloads/687fb58743d637976afd57fbd8a78ef9/example_9_Coulomb.ipynb b/edrixs/_downloads/687fb58743d637976afd57fbd8a78ef9/example_9_Coulomb.ipynb
@@ -207,7 +207,7 @@
       "name": "python",
       "nbconvert_exporter": "python",
       "pygments_lexer": "ipython3",
-      "version": "3.10.14"
+      "version": "3.10.16"
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diff --git a/edrixs/_downloads/6cd93e346e243a1950ba57feae08db0a/example_0_ed_calculator.ipynb b/edrixs/_downloads/6cd93e346e243a1950ba57feae08db0a/example_0_ed_calculator.ipynb
@@ -347,7 +347,7 @@
       "name": "python",
       "nbconvert_exporter": "python",
       "pygments_lexer": "ipython3",
-      "version": "3.10.14"
+      "version": "3.10.16"
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diff --git a/edrixs/_downloads/6dffa254d364294a4b733a81a90a1732/example_9_Coulomb.zip b/edrixs/_downloads/6dffa254d364294a4b733a81a90a1732/example_9_Coulomb.zip
diff --git a/edrixs/_downloads/6f1e7a639e0699d6164445b55e6c116d/auto_examples_jupyter.zip b/edrixs/_downloads/6f1e7a639e0699d6164445b55e6c116d/auto_examples_jupyter.zip
diff --git a/edrixs/_downloads/9d9d4281e4fa8bdc87c5f8d67a01fd4a/example_4_GS_analysis.zip b/edrixs/_downloads/9d9d4281e4fa8bdc87c5f8d67a01fd4a/example_4_GS_analysis.zip
diff --git a/edrixs/_downloads/a55bc2c31f15bafae0fd721b61500b04/example_3_AIM_XAS.zip b/edrixs/_downloads/a55bc2c31f15bafae0fd721b61500b04/example_3_AIM_XAS.zip
diff --git a/edrixs/_downloads/a78af2b1cbb139d2a3505d4ef66507e7/example_6_Hubbard_dimer.zip b/edrixs/_downloads/a78af2b1cbb139d2a3505d4ef66507e7/example_6_Hubbard_dimer.zip
diff --git a/edrixs/_downloads/b4dc84131d87174f7c09b58fc61829a8/example_7_transitions.ipynb b/edrixs/_downloads/b4dc84131d87174f7c09b58fc61829a8/example_7_transitions.ipynb
@@ -168,7 +168,7 @@
       "name": "python",
       "nbconvert_exporter": "python",
       "pygments_lexer": "ipython3",
-      "version": "3.10.14"
+      "version": "3.10.16"
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diff --git a/edrixs/_downloads/c80f6188449857a8752ca41e52553006/example_4_GS_analysis.ipynb b/edrixs/_downloads/c80f6188449857a8752ca41e52553006/example_4_GS_analysis.ipynb
@@ -247,7 +247,7 @@
       "name": "python",
       "nbconvert_exporter": "python",
       "pygments_lexer": "ipython3",
-      "version": "3.10.14"
+      "version": "3.10.16"
     }
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   "nbformat": 4,

diff --git a/edrixs/_downloads/ceccd240871166cf69609184775c524d/example_6_Hubbard_dimer.ipynb b/edrixs/_downloads/ceccd240871166cf69609184775c524d/example_6_Hubbard_dimer.ipynb
@@ -171,7 +171,7 @@
       "name": "python",
       "nbconvert_exporter": "python",
       "pygments_lexer": "ipython3",
-      "version": "3.10.14"
+      "version": "3.10.16"
     }
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diff --git a/edrixs/_downloads/d7c6df44b25b2a3a0133d7014a6a992c/example_8_Hunds_interactions.zip b/edrixs/_downloads/d7c6df44b25b2a3a0133d7014a6a992c/example_8_Hunds_interactions.zip
diff --git a/edrixs/_downloads/ea938601a5ea0e41baae4e0ea4cfc9b2/example_5_charge_transfer.ipynb b/edrixs/_downloads/ea938601a5ea0e41baae4e0ea4cfc9b2/example_5_charge_transfer.ipynb
@@ -146,7 +146,7 @@
       "name": "python",
       "nbconvert_exporter": "python",
       "pygments_lexer": "ipython3",
-      "version": "3.10.14"
+      "version": "3.10.16"
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   "nbformat": 4,

diff --git a/edrixs/_downloads/ec5be3ffa2b20d2aa5db9e4571690517/example_2_single_atom_RIXS.ipynb b/edrixs/_downloads/ec5be3ffa2b20d2aa5db9e4571690517/example_2_single_atom_RIXS.ipynb
@@ -182,7 +182,7 @@
       "name": "python",
       "nbconvert_exporter": "python",
       "pygments_lexer": "ipython3",
-      "version": "3.10.14"
+      "version": "3.10.16"
     }
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   "nbformat": 4,

diff --git a/edrixs/_downloads/fbd478f01d8361d8a36f393bd9b6097c/example_7_transitions.zip b/edrixs/_downloads/fbd478f01d8361d8a36f393bd9b6097c/example_7_transitions.zip
diff --git a/edrixs/_images/helloworld.png b/edrixs/_images/helloworld.png
diff --git a/edrixs/_images/sphx_glr_example_0_ed_calculator_001.png b/edrixs/_images/sphx_glr_example_0_ed_calculator_001.png
diff --git a/edrixs/_images/sphx_glr_example_0_ed_calculator_002.png b/edrixs/_images/sphx_glr_example_0_ed_calculator_002.png
diff --git a/edrixs/_images/sphx_glr_example_2_single_atom_RIXS_001.png b/edrixs/_images/sphx_glr_example_2_single_atom_RIXS_001.png
diff --git a/edrixs/_images/sphx_glr_example_2_single_atom_RIXS_002.png b/edrixs/_images/sphx_glr_example_2_single_atom_RIXS_002.png
diff --git a/edrixs/_images/sphx_glr_example_3_AIM_XAS_001.png b/edrixs/_images/sphx_glr_example_3_AIM_XAS_001.png
diff --git a/edrixs/_images/sphx_glr_example_4_GS_analysis_001.png b/edrixs/_images/sphx_glr_example_4_GS_analysis_001.png
diff --git a/edrixs/_images/sphx_glr_example_5_charge_transfer_001.png b/edrixs/_images/sphx_glr_example_5_charge_transfer_001.png
diff --git a/edrixs/_images/sphx_glr_example_6_Hubbard_dimer_001.png b/edrixs/_images/sphx_glr_example_6_Hubbard_dimer_001.png
diff --git a/edrixs/_images/sphx_glr_example_7_transitions_001.png b/edrixs/_images/sphx_glr_example_7_transitions_001.png
diff --git a/edrixs/_images/sphx_glr_example_7_transitions_002.png b/edrixs/_images/sphx_glr_example_7_transitions_002.png
diff --git a/edrixs/_images/sphx_glr_example_8_Hunds_interactions_001.png b/edrixs/_images/sphx_glr_example_8_Hunds_interactions_001.png
diff --git a/edrixs/_images/sphx_glr_example_8_Hunds_interactions_002.png b/edrixs/_images/sphx_glr_example_8_Hunds_interactions_002.png
diff --git a/edrixs/_images/sphx_glr_example_8_Hunds_interactions_003.png b/edrixs/_images/sphx_glr_example_8_Hunds_interactions_003.png
diff --git a/edrixs/_images/sphx_glr_example_9_Coulomb_001.png b/edrixs/_images/sphx_glr_example_9_Coulomb_001.png
diff --git a/edrixs/_modules/edrixs/angular_momentum.html b/edrixs/_modules/edrixs/angular_momentum.html
diff --git a/edrixs/_modules/edrixs/basis_transform.html b/edrixs/_modules/edrixs/basis_transform.html
@@ -1,11 +1,13 @@
+
+
 <!DOCTYPE html>
 <html class="writer-html5" lang="en" data-content_root="../../">
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
   <title>edrixs.basis_transform &mdash; edrixs  documentation</title>
-      <link rel="stylesheet" type="text/css" href="../../_static/pygments.css?v=fa44fd50" />
-      <link rel="stylesheet" type="text/css" href="../../_static/css/theme.css?v=19f00094" />
+      <link rel="stylesheet" type="text/css" href="../../_static/pygments.css?v=03e43079" />
+      <link rel="stylesheet" type="text/css" href="../../_static/css/theme.css?v=e59714d7" />
       <link rel="stylesheet" type="text/css" href="../../_static/plot_directive.css" />
       <link rel="stylesheet" type="text/css" href="../../_static/copybutton.css?v=76b2166b" />
       <link rel="stylesheet" type="text/css" href="../../_static/sg_gallery.css?v=d2d258e8" />
@@ -14,15 +16,11 @@
       <link rel="stylesheet" type="text/css" href="../../_static/sg_gallery-rendered-html.css?v=1277b6f3" />
 
 
-  <!--[if lt IE 9]>
-    <script src="../../_static/js/html5shiv.min.js"></script>
-  <![endif]-->
-
-        <script src="../../_static/documentation_options.js?v=5929fcd5"></script>
-        <script src="../../_static/doctools.js?v=9a2dae69"></script>
-        <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
-        <script src="../../_static/clipboard.min.js?v=a7894cd8"></script>
-        <script src="../../_static/copybutton.js?v=f281be69"></script>
+      <script src="../../_static/documentation_options.js?v=5929fcd5"></script>
+      <script src="../../_static/doctools.js?v=9bcbadda"></script>
+      <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
+      <script src="../../_static/clipboard.min.js?v=a7894cd8"></script>
+      <script src="../../_static/copybutton.js?v=f281be69"></script>
     <script src="../../_static/js/theme.js"></script>
     <link rel="index" title="Index" href="../../genindex.html" />
     <link rel="search" title="Search" href="../../search.html" /> 
@@ -82,12 +80,12 @@ <h1>Source code for edrixs.basis_transform</h1><div class="highlight"><pre>
 <span></span><span class="n">__all__</span> <span class="o">=</span> <span class="p">[</span><span class="s1">&#39;cb_op&#39;</span><span class="p">,</span> <span class="s1">&#39;cb_op2&#39;</span><span class="p">,</span> <span class="s1">&#39;tmat_c2r&#39;</span><span class="p">,</span> <span class="s1">&#39;tmat_r2c&#39;</span><span class="p">,</span> <span class="s1">&#39;tmat_r2cub_f&#39;</span><span class="p">,</span>
            <span class="s1">&#39;tmat_cub2r_f&#39;</span><span class="p">,</span> <span class="s1">&#39;tmat_c2j&#39;</span><span class="p">,</span> <span class="s1">&#39;transform_utensor&#39;</span><span class="p">,</span> <span class="s1">&#39;fourier_hr2hk&#39;</span><span class="p">]</span>
 
-<span class="kn">import</span> <span class="nn">numpy</span> <span class="k">as</span> <span class="nn">np</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">numpy</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">np</span>
 
 
 <div class="viewcode-block" id="cb_op">
 <a class="viewcode-back" href="../../reference/basis_transform.html#edrixs.basis_transform.cb_op">[docs]</a>
-<span class="k">def</span> <span class="nf">cb_op</span><span class="p">(</span><span class="n">oper_O</span><span class="p">,</span> <span class="n">TL</span><span class="p">,</span> <span class="n">TR</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">cb_op</span><span class="p">(</span><span class="n">oper_O</span><span class="p">,</span> <span class="n">TL</span><span class="p">,</span> <span class="n">TR</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
 <span class="w">    </span><span class="sd">&quot;&quot;&quot;</span>
 <span class="sd">    Change the basis of an operator :math:`\\hat{O}`.</span>
 
@@ -146,7 +144,7 @@ <h1>Source code for edrixs.basis_transform</h1><div class="highlight"><pre>
 
 <div class="viewcode-block" id="cb_op2">
 <a class="viewcode-back" href="../../reference/basis_transform.html#edrixs.basis_transform.cb_op2">[docs]</a>
-<span class="k">def</span> <span class="nf">cb_op2</span><span class="p">(</span><span class="n">oper_O</span><span class="p">,</span> <span class="n">TL</span><span class="p">,</span> <span class="n">TR</span><span class="p">):</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">cb_op2</span><span class="p">(</span><span class="n">oper_O</span><span class="p">,</span> <span class="n">TL</span><span class="p">,</span> <span class="n">TR</span><span class="p">):</span>
 <span class="w">    </span><span class="sd">&quot;&quot;&quot;</span>
 <span class="sd">    Change the basis of an operator :math:`\\hat{O}`.</span>
 
@@ -195,7 +193,7 @@ <h1>Source code for edrixs.basis_transform</h1><div class="highlight"><pre>
 
 <div class="viewcode-block" id="tmat_c2r">
 <a class="viewcode-back" href="../../reference/basis_transform.html#edrixs.basis_transform.tmat_c2r">[docs]</a>
-<span class="k">def</span> <span class="nf">tmat_c2r</span><span class="p">(</span><span class="n">case</span><span class="p">,</span> <span class="n">ispin</span><span class="o">=</span><span class="kc">False</span><span class="p">):</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">tmat_c2r</span><span class="p">(</span><span class="n">case</span><span class="p">,</span> <span class="n">ispin</span><span class="o">=</span><span class="kc">False</span><span class="p">):</span>
 <span class="w">    </span><span class="sd">&quot;&quot;&quot;</span>
 <span class="sd">    Get the unitary transformation matrix from the basis of complex</span>
 <span class="sd">    spherical harmonics to real spherical harmonics.</span>
@@ -316,7 +314,7 @@ <h1>Source code for edrixs.basis_transform</h1><div class="highlight"><pre>
 
 <div class="viewcode-block" id="tmat_r2c">
 <a class="viewcode-back" href="../../reference/basis_transform.html#edrixs.basis_transform.tmat_r2c">[docs]</a>
-<span class="k">def</span> <span class="nf">tmat_r2c</span><span class="p">(</span><span class="n">case</span><span class="p">,</span> <span class="n">ispin</span><span class="o">=</span><span class="kc">False</span><span class="p">):</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">tmat_r2c</span><span class="p">(</span><span class="n">case</span><span class="p">,</span> <span class="n">ispin</span><span class="o">=</span><span class="kc">False</span><span class="p">):</span>
 <span class="w">    </span><span class="sd">&quot;&quot;&quot;</span>
 <span class="sd">    Get the unitary transformation matrix from the basis of real</span>
 <span class="sd">    spherical harmonics to complex spherical harmonics.</span>
@@ -346,7 +344,7 @@ <h1>Source code for edrixs.basis_transform</h1><div class="highlight"><pre>
 
 <div class="viewcode-block" id="tmat_r2cub_f">
 <a class="viewcode-back" href="../../reference/basis_transform.html#edrixs.basis_transform.tmat_r2cub_f">[docs]</a>
-<span class="k">def</span> <span class="nf">tmat_r2cub_f</span><span class="p">(</span><span class="n">ispin</span><span class="o">=</span><span class="kc">False</span><span class="p">):</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">tmat_r2cub_f</span><span class="p">(</span><span class="n">ispin</span><span class="o">=</span><span class="kc">False</span><span class="p">):</span>
 <span class="w">    </span><span class="sd">&quot;&quot;&quot;</span>
 <span class="sd">    Get the transformation matrix from real spherical harmonics to the</span>
 <span class="sd">    cubic spherical harmonics that is the representation of the cubic</span>
@@ -409,7 +407,7 @@ <h1>Source code for edrixs.basis_transform</h1><div class="highlight"><pre>
 
 <div class="viewcode-block" id="tmat_cub2r_f">
 <a class="viewcode-back" href="../../reference/basis_transform.html#edrixs.basis_transform.tmat_cub2r_f">[docs]</a>
-<span class="k">def</span> <span class="nf">tmat_cub2r_f</span><span class="p">(</span><span class="n">ispin</span><span class="o">=</span><span class="kc">False</span><span class="p">):</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">tmat_cub2r_f</span><span class="p">(</span><span class="n">ispin</span><span class="o">=</span><span class="kc">False</span><span class="p">):</span>
 <span class="w">    </span><span class="sd">&quot;&quot;&quot;</span>
 <span class="sd">    Get the transformation matrix from the cubic spherical harmonics to</span>
 <span class="sd">    real spherical harmonics, only for :math:`f` system.</span>
@@ -432,7 +430,7 @@ <h1>Source code for edrixs.basis_transform</h1><div class="highlight"><pre>
 
 <div class="viewcode-block" id="tmat_c2j">
 <a class="viewcode-back" href="../../reference/basis_transform.html#edrixs.basis_transform.tmat_c2j">[docs]</a>
-<span class="k">def</span> <span class="nf">tmat_c2j</span><span class="p">(</span><span class="n">orb_l</span><span class="p">):</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">tmat_c2j</span><span class="p">(</span><span class="n">orb_l</span><span class="p">):</span>
 <span class="w">    </span><span class="sd">&quot;&quot;&quot;</span>
 <span class="sd">    Get the transformation matrix from the complex spherical harmonics to</span>
 <span class="sd">    the :math:`|j^2,j_z&gt;` basis in which the spin-oribt coupling Hamiltonian</span>
@@ -529,7 +527,7 @@ <h1>Source code for edrixs.basis_transform</h1><div class="highlight"><pre>
 
 <div class="viewcode-block" id="transform_utensor">
 <a class="viewcode-back" href="../../reference/basis_transform.html#edrixs.basis_transform.transform_utensor">[docs]</a>
-<span class="k">def</span> <span class="nf">transform_utensor</span><span class="p">(</span><span class="n">umat</span><span class="p">,</span> <span class="n">tmat</span><span class="p">):</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">transform_utensor</span><span class="p">(</span><span class="n">umat</span><span class="p">,</span> <span class="n">tmat</span><span class="p">):</span>
 <span class="w">    </span><span class="sd">&quot;&quot;&quot;</span>
 <span class="sd">    Transform the rank-4 Coulomb interaction tensor from one basis to</span>
 <span class="sd">    another basis.</span>
@@ -579,7 +577,7 @@ <h1>Source code for edrixs.basis_transform</h1><div class="highlight"><pre>
 
 <div class="viewcode-block" id="fourier_hr2hk">
 <a class="viewcode-back" href="../../reference/basis_transform.html#edrixs.basis_transform.fourier_hr2hk">[docs]</a>
-<span class="k">def</span> <span class="nf">fourier_hr2hk</span><span class="p">(</span><span class="n">norbs</span><span class="p">,</span> <span class="n">nkpt</span><span class="p">,</span> <span class="n">kvec</span><span class="p">,</span> <span class="n">nrpt</span><span class="p">,</span> <span class="n">rvec</span><span class="p">,</span> <span class="n">deg_rpt</span><span class="p">,</span> <span class="n">hr</span><span class="p">):</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">fourier_hr2hk</span><span class="p">(</span><span class="n">norbs</span><span class="p">,</span> <span class="n">nkpt</span><span class="p">,</span> <span class="n">kvec</span><span class="p">,</span> <span class="n">nrpt</span><span class="p">,</span> <span class="n">rvec</span><span class="p">,</span> <span class="n">deg_rpt</span><span class="p">,</span> <span class="n">hr</span><span class="p">):</span>
 <span class="w">    </span><span class="sd">&quot;&quot;&quot;</span>
 <span class="sd">    Fourier transform a tight-binding Hamiltonian :math:`H(r)` from</span>
 <span class="sd">    real space to :math:`k` space :math:`H(k)`,</span>