deploy: EDRIXS/edrixs@1c9548f

NSLS-II · Feb 27, 2024 · 7a2cbc0 · 7a2cbc0
1 parent 459c0c2
commit 7a2cbc0
Show file tree

Hide file tree

Showing 42 changed files with 70 additions and 70 deletions.
diff --git a/edrixs/.buildinfo b/edrixs/.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: 13581d12d9e76f0df73c07f206368572
+config: 8379a56985e4db5dda850323b7ab2d5c
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/edrixs/_downloads/07fcc19ba03226cd3d83d4e40ec44385/auto_examples_python.zip b/edrixs/_downloads/07fcc19ba03226cd3d83d4e40ec44385/auto_examples_python.zip
diff --git a/edrixs/_downloads/6f1e7a639e0699d6164445b55e6c116d/auto_examples_jupyter.zip b/edrixs/_downloads/6f1e7a639e0699d6164445b55e6c116d/auto_examples_jupyter.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_transitions_001.png b/edrixs/_images/sphx_glr_example_5_transitions_001.png
diff --git a/edrixs/_images/sphx_glr_example_5_transitions_002.png b/edrixs/_images/sphx_glr_example_5_transitions_002.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_Hunds_interactions_001.png b/edrixs/_images/sphx_glr_example_7_Hunds_interactions_001.png
diff --git a/edrixs/_images/sphx_glr_example_7_Hunds_interactions_002.png b/edrixs/_images/sphx_glr_example_7_Hunds_interactions_002.png
diff --git a/edrixs/_images/sphx_glr_example_7_Hunds_interactions_003.png b/edrixs/_images/sphx_glr_example_7_Hunds_interactions_003.png
diff --git a/edrixs/_images/sphx_glr_example_8_Coulomb_001.png b/edrixs/_images/sphx_glr_example_8_Coulomb_001.png
diff --git a/edrixs/_sources/auto_examples/example_0_ed_calculator.rst.txt b/edrixs/_sources/auto_examples/example_0_ed_calculator.rst.txt
@@ -555,7 +555,7 @@ states have the lower energies.
 
 .. rst-class:: sphx-glr-timing
 
-   **Total running time of the script:** (0 minutes 0.161 seconds)
+   **Total running time of the script:** (0 minutes 0.162 seconds)
 
 
 .. _sphx_glr_download_auto_examples_example_0_ed_calculator.py:

diff --git a/edrixs/_sources/auto_examples/example_1_crystal_field.rst.txt b/edrixs/_sources/auto_examples/example_1_crystal_field.rst.txt
@@ -579,7 +579,7 @@ discovery of an interesting new material [1]_.
 
 .. rst-class:: sphx-glr-timing
 
-   **Total running time of the script:** (0 minutes 0.184 seconds)
+   **Total running time of the script:** (0 minutes 0.199 seconds)
 
 
 .. _sphx_glr_download_auto_examples_example_1_crystal_field.py:

diff --git a/edrixs/_sources/auto_examples/example_2_single_atom_RIXS.rst.txt b/edrixs/_sources/auto_examples/example_2_single_atom_RIXS.rst.txt
@@ -454,7 +454,7 @@ of Sr\ :sub:`2`\ YIrO\ :sub:`6`\  is dependent on the model.
 
 .. rst-class:: sphx-glr-timing
 
-   **Total running time of the script:** (0 minutes 4.604 seconds)
+   **Total running time of the script:** (0 minutes 4.640 seconds)
 
 
 .. _sphx_glr_download_auto_examples_example_2_single_atom_RIXS.py:

diff --git a/edrixs/_sources/auto_examples/example_3_AIM_XAS.rst.txt b/edrixs/_sources/auto_examples/example_3_AIM_XAS.rst.txt
@@ -716,7 +716,7 @@ Let's plot the data and save it just in case
 
 .. rst-class:: sphx-glr-timing
 
-   **Total running time of the script:** (0 minutes 0.938 seconds)
+   **Total running time of the script:** (0 minutes 1.203 seconds)
 
 
 .. _sphx_glr_download_auto_examples_example_3_AIM_XAS.py:

diff --git a/edrixs/_sources/auto_examples/example_4_GS_analysis.rst.txt b/edrixs/_sources/auto_examples/example_4_GS_analysis.rst.txt
@@ -358,7 +358,7 @@ structure from the other interactions.
 
 .. rst-class:: sphx-glr-timing
 
-   **Total running time of the script:** (0 minutes 0.520 seconds)
+   **Total running time of the script:** (0 minutes 0.534 seconds)
 
 
 .. _sphx_glr_download_auto_examples_example_4_GS_analysis.py:

diff --git a/edrixs/_sources/auto_examples/example_5_transitions.rst.txt b/edrixs/_sources/auto_examples/example_5_transitions.rst.txt
@@ -330,7 +330,7 @@ orbitals.
 
 .. rst-class:: sphx-glr-timing
 
-   **Total running time of the script:** (0 minutes 0.649 seconds)
+   **Total running time of the script:** (0 minutes 0.646 seconds)
 
 
 .. _sphx_glr_download_auto_examples_example_5_transitions.py:

diff --git a/edrixs/_sources/auto_examples/example_6_Hubbard_dimer.rst.txt b/edrixs/_sources/auto_examples/example_6_Hubbard_dimer.rst.txt
@@ -334,7 +334,7 @@ research on quantum materials [1]_ [2]_.
 
 .. rst-class:: sphx-glr-timing
 
-   **Total running time of the script:** (0 minutes 0.118 seconds)
+   **Total running time of the script:** (0 minutes 0.121 seconds)
 
 
 .. _sphx_glr_download_auto_examples_example_6_Hubbard_dimer.py:

diff --git a/edrixs/_sources/auto_examples/example_7_Hunds_interactions.rst.txt b/edrixs/_sources/auto_examples/example_7_Hunds_interactions.rst.txt
@@ -449,7 +449,7 @@ in the ground state and exciton.
 
 .. rst-class:: sphx-glr-timing
 
-   **Total running time of the script:** (0 minutes 1.418 seconds)
+   **Total running time of the script:** (0 minutes 1.443 seconds)
 
 
 .. _sphx_glr_download_auto_examples_example_7_Hunds_interactions.py:

diff --git a/edrixs/_sources/auto_examples/example_8_Coulomb.rst.txt b/edrixs/_sources/auto_examples/example_8_Coulomb.rst.txt
@@ -606,7 +606,7 @@ orbital terms are included or not.
 
 .. rst-class:: sphx-glr-timing
 
-   **Total running time of the script:** (0 minutes 0.533 seconds)
+   **Total running time of the script:** (0 minutes 0.529 seconds)
 
 
 .. _sphx_glr_download_auto_examples_example_8_Coulomb.py:

diff --git a/edrixs/_sources/auto_examples/sg_execution_times.rst.txt b/edrixs/_sources/auto_examples/sg_execution_times.rst.txt
@@ -6,7 +6,7 @@
 
 Computation times
 =================
-**00:09.125** total execution time for 9 files **from auto_examples**:
+**00:09.477** total execution time for 9 files **from auto_examples**:
 
 .. container::
 
@@ -33,29 +33,29 @@ Computation times
      - Time
      - Mem (MB)
    * - :ref:`sphx_glr_auto_examples_example_2_single_atom_RIXS.py` (``example_2_single_atom_RIXS.py``)
-     - 00:04.604
+     - 00:04.640
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_7_Hunds_interactions.py` (``example_7_Hunds_interactions.py``)
-     - 00:01.418
+     - 00:01.443
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_3_AIM_XAS.py` (``example_3_AIM_XAS.py``)
-     - 00:00.938
+     - 00:01.203
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_5_transitions.py` (``example_5_transitions.py``)
-     - 00:00.649
-     - 0.0
-   * - :ref:`sphx_glr_auto_examples_example_8_Coulomb.py` (``example_8_Coulomb.py``)
-     - 00:00.533
+     - 00:00.646
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_4_GS_analysis.py` (``example_4_GS_analysis.py``)
-     - 00:00.520
+     - 00:00.534
+     - 0.0
+   * - :ref:`sphx_glr_auto_examples_example_8_Coulomb.py` (``example_8_Coulomb.py``)
+     - 00:00.529
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_1_crystal_field.py` (``example_1_crystal_field.py``)
-     - 00:00.184
+     - 00:00.199
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_0_ed_calculator.py` (``example_0_ed_calculator.py``)
-     - 00:00.161
+     - 00:00.162
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_6_Hubbard_dimer.py` (``example_6_Hubbard_dimer.py``)
-     - 00:00.118
+     - 00:00.121
      - 0.0
diff --git a/edrixs/_sources/sg_execution_times.rst.txt b/edrixs/_sources/sg_execution_times.rst.txt
@@ -6,7 +6,7 @@
 
 Computation times
 =================
-**00:09.125** total execution time for 9 files **from all galleries**:
+**00:09.477** total execution time for 9 files **from all galleries**:
 
 .. container::
 
@@ -33,29 +33,29 @@ Computation times
      - Time
      - Mem (MB)
    * - :ref:`sphx_glr_auto_examples_example_2_single_atom_RIXS.py` (``../../examples/sphinx/example_2_single_atom_RIXS.py``)
-     - 00:04.604
+     - 00:04.640
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_7_Hunds_interactions.py` (``../../examples/sphinx/example_7_Hunds_interactions.py``)
-     - 00:01.418
+     - 00:01.443
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_3_AIM_XAS.py` (``../../examples/sphinx/example_3_AIM_XAS.py``)
-     - 00:00.938
+     - 00:01.203
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_5_transitions.py` (``../../examples/sphinx/example_5_transitions.py``)
-     - 00:00.649
-     - 0.0
-   * - :ref:`sphx_glr_auto_examples_example_8_Coulomb.py` (``../../examples/sphinx/example_8_Coulomb.py``)
-     - 00:00.533
+     - 00:00.646
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_4_GS_analysis.py` (``../../examples/sphinx/example_4_GS_analysis.py``)
-     - 00:00.520
+     - 00:00.534
+     - 0.0
+   * - :ref:`sphx_glr_auto_examples_example_8_Coulomb.py` (``../../examples/sphinx/example_8_Coulomb.py``)
+     - 00:00.529
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_1_crystal_field.py` (``../../examples/sphinx/example_1_crystal_field.py``)
-     - 00:00.184
+     - 00:00.199
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_0_ed_calculator.py` (``../../examples/sphinx/example_0_ed_calculator.py``)
-     - 00:00.161
+     - 00:00.162
      - 0.0
    * - :ref:`sphx_glr_auto_examples_example_6_Hubbard_dimer.py` (``../../examples/sphinx/example_6_Hubbard_dimer.py``)
-     - 00:00.118
+     - 00:00.121
      - 0.0
diff --git a/edrixs/auto_examples/example_0_ed_calculator.html b/edrixs/auto_examples/example_0_ed_calculator.html
@@ -402,7 +402,7 @@ <h2>Spin orbit coupling<a class="headerlink" href="#spin-orbit-coupling" title="
 three states from <span class="math notranslate nohighlight">\(J=|L-S|, |L-S|+1, ..., |L+S|\)</span>. Since the shell is
 less than half full, Hund’s third rule dictates that the smaller <span class="math notranslate nohighlight">\(J\)</span>
 states have the lower energies.</p>
-<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 0.161 seconds)</p>
+<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 0.162 seconds)</p>
 <div class="sphx-glr-footer sphx-glr-footer-example docutils container" id="sphx-glr-download-auto-examples-example-0-ed-calculator-py">
 <div class="sphx-glr-download sphx-glr-download-jupyter docutils container">
 <p><a class="reference download internal" download="" href="../_downloads/6cd93e346e243a1950ba57feae08db0a/example_0_ed_calculator.ipynb"><code class="xref download docutils literal notranslate"><span class="pre">Download</span> <span class="pre">Jupyter</span> <span class="pre">notebook:</span> <span class="pre">example_0_ed_calculator.ipynb</span></code></a></p>

diff --git a/edrixs/auto_examples/example_1_crystal_field.html b/edrixs/auto_examples/example_1_crystal_field.html
@@ -447,7 +447,7 @@ <h2>Crystal field on an atom<a class="headerlink" href="#crystal-field-on-an-ato
 </ol>
 </aside>
 </aside>
-<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 0.184 seconds)</p>
+<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 0.199 seconds)</p>
 <div class="sphx-glr-footer sphx-glr-footer-example docutils container" id="sphx-glr-download-auto-examples-example-1-crystal-field-py">
 <div class="sphx-glr-download sphx-glr-download-jupyter docutils container">
 <p><a class="reference download internal" download="" href="../_downloads/3c5626e47a8dbeace785112f693da4eb/example_1_crystal_field.ipynb"><code class="xref download docutils literal notranslate"><span class="pre">Download</span> <span class="pre">Jupyter</span> <span class="pre">notebook:</span> <span class="pre">example_1_crystal_field.ipynb</span></code></a></p>

diff --git a/edrixs/auto_examples/example_2_single_atom_RIXS.html b/edrixs/auto_examples/example_2_single_atom_RIXS.html
@@ -410,7 +410,7 @@ <h2>Full d shell calculation<a class="headerlink" href="#full-d-shell-calculatio
 <a class="reference external" href="https://doi.org/10.1103/PhysRevB.97.085150">Phys. Rev. B 97, 085150 (2018)</a>.</p>
 </aside>
 </aside>
-<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 4.604 seconds)</p>
+<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 4.640 seconds)</p>
 <div class="sphx-glr-footer sphx-glr-footer-example docutils container" id="sphx-glr-download-auto-examples-example-2-single-atom-rixs-py">
 <div class="sphx-glr-download sphx-glr-download-jupyter docutils container">
 <p><a class="reference download internal" download="" href="../_downloads/ec5be3ffa2b20d2aa5db9e4571690517/example_2_single_atom_RIXS.ipynb"><code class="xref download docutils literal notranslate"><span class="pre">Download</span> <span class="pre">Jupyter</span> <span class="pre">notebook:</span> <span class="pre">example_2_single_atom_RIXS.ipynb</span></code></a></p>

diff --git a/edrixs/auto_examples/example_3_AIM_XAS.html b/edrixs/auto_examples/example_3_AIM_XAS.html
@@ -494,7 +494,7 @@ <h2>Build matrices describing interactions<a class="headerlink" href="#build-mat
 <a class="reference external" href="https://doi.org/10.1143/JPSJ.63.2788">J. Phys. Soc. Jpn. 63, 2788-2807(1994)</a></p>
 </aside>
 </aside>
-<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 0.938 seconds)</p>
+<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 1.203 seconds)</p>
 <div class="sphx-glr-footer sphx-glr-footer-example docutils container" id="sphx-glr-download-auto-examples-example-3-aim-xas-py">
 <div class="sphx-glr-download sphx-glr-download-jupyter docutils container">
 <p><a class="reference download internal" download="" href="../_downloads/37c91286a883108afd6bd1f2ad87920c/example_3_AIM_XAS.ipynb"><code class="xref download docutils literal notranslate"><span class="pre">Download</span> <span class="pre">Jupyter</span> <span class="pre">notebook:</span> <span class="pre">example_3_AIM_XAS.ipynb</span></code></a></p>

diff --git a/edrixs/auto_examples/example_4_GS_analysis.html b/edrixs/auto_examples/example_4_GS_analysis.html
@@ -279,7 +279,7 @@ <h2>Plot<a class="headerlink" href="#plot" title="Permalink to this heading">¶<
 majority of the weight for the <span class="math notranslate nohighlight">\(L^9\)</span> and <span class="math notranslate nohighlight">\(L^8\)</span> states
 live at <span class="math notranslate nohighlight">\(\Delta\)</span> and <span class="math notranslate nohighlight">\(2\Delta\)</span>. With a lot of additional
 structure from the other interactions.</p>
-<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 0.520 seconds)</p>
+<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 0.534 seconds)</p>
 <div class="sphx-glr-footer sphx-glr-footer-example docutils container" id="sphx-glr-download-auto-examples-example-4-gs-analysis-py">
 <div class="sphx-glr-download sphx-glr-download-jupyter docutils container">
 <p><a class="reference download internal" download="" href="../_downloads/c80f6188449857a8752ca41e52553006/example_4_GS_analysis.ipynb"><code class="xref download docutils literal notranslate"><span class="pre">Download</span> <span class="pre">Jupyter</span> <span class="pre">notebook:</span> <span class="pre">example_4_GS_analysis.ipynb</span></code></a></p>

diff --git a/edrixs/auto_examples/example_5_transitions.html b/edrixs/auto_examples/example_5_transitions.html
@@ -306,7 +306,7 @@ <h2>Run through orbitals<a class="headerlink" href="#run-through-orbitals" title
 <a class="reference external" href="https://doi.org/10.1103/PhysRevLett.103.117003">Phys. Rev. Lett. 103, 117003 (2009)</a></p>
 </aside>
 </aside>
-<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 0.649 seconds)</p>
+<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 0.646 seconds)</p>
 <div class="sphx-glr-footer sphx-glr-footer-example docutils container" id="sphx-glr-download-auto-examples-example-5-transitions-py">
 <div class="sphx-glr-download sphx-glr-download-jupyter docutils container">
 <p><a class="reference download internal" download="" href="../_downloads/4c17545c9c531bbea8f391a8442d3b7a/example_5_transitions.ipynb"><code class="xref download docutils literal notranslate"><span class="pre">Download</span> <span class="pre">Jupyter</span> <span class="pre">notebook:</span> <span class="pre">example_5_transitions.ipynb</span></code></a></p>

diff --git a/edrixs/auto_examples/example_6_Hubbard_dimer.html b/edrixs/auto_examples/example_6_Hubbard_dimer.html
@@ -315,7 +315,7 @@ <h2><span class="math notranslate nohighlight">\(U\)</span> dependence<a class="
 </ol>
 </aside>
 </aside>
-<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 0.118 seconds)</p>
+<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 0.121 seconds)</p>
 <div class="sphx-glr-footer sphx-glr-footer-example docutils container" id="sphx-glr-download-auto-examples-example-6-hubbard-dimer-py">
 <div class="sphx-glr-download sphx-glr-download-jupyter docutils container">
 <p><a class="reference download internal" download="" href="../_downloads/ceccd240871166cf69609184775c524d/example_6_Hubbard_dimer.ipynb"><code class="xref download docutils literal notranslate"><span class="pre">Download</span> <span class="pre">Jupyter</span> <span class="pre">notebook:</span> <span class="pre">example_6_Hubbard_dimer.ipynb</span></code></a></p>

diff --git a/edrixs/auto_examples/example_7_Hunds_interactions.html b/edrixs/auto_examples/example_7_Hunds_interactions.html
@@ -413,7 +413,7 @@ <h2>Charge transfer excitons<a class="headerlink" href="#charge-transfer-exciton
 </ol>
 </aside>
 </aside>
-<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 1.418 seconds)</p>
+<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 1.443 seconds)</p>
 <div class="sphx-glr-footer sphx-glr-footer-example docutils container" id="sphx-glr-download-auto-examples-example-7-hunds-interactions-py">
 <div class="sphx-glr-download sphx-glr-download-jupyter docutils container">
 <p><a class="reference download internal" download="" href="../_downloads/acd53eaa7242222013141c0dd7643cc0/example_7_Hunds_interactions.ipynb"><code class="xref download docutils literal notranslate"><span class="pre">Download</span> <span class="pre">Jupyter</span> <span class="pre">notebook:</span> <span class="pre">example_7_Hunds_interactions.ipynb</span></code></a></p>

diff --git a/edrixs/auto_examples/example_8_Coulomb.html b/edrixs/auto_examples/example_8_Coulomb.html
@@ -642,7 +642,7 @@ <h2>Effects of multi-orbital terms<a class="headerlink" href="#effects-of-multi-
 Transition-Metal Ions in Crystals. Academic Press, New York and London.</p>
 </aside>
 </aside>
-<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 0.533 seconds)</p>
+<p class="sphx-glr-timing"><strong>Total running time of the script:</strong> (0 minutes 0.529 seconds)</p>
 <div class="sphx-glr-footer sphx-glr-footer-example docutils container" id="sphx-glr-download-auto-examples-example-8-coulomb-py">
 <div class="sphx-glr-download sphx-glr-download-jupyter docutils container">
 <p><a class="reference download internal" download="" href="../_downloads/6c36c3d3d14c1014b0bd91c1f7e1e81f/example_8_Coulomb.ipynb"><code class="xref download docutils literal notranslate"><span class="pre">Download</span> <span class="pre">Jupyter</span> <span class="pre">notebook:</span> <span class="pre">example_8_Coulomb.ipynb</span></code></a></p>