Generated documentation for ctseg/3.3.x

jenkins-TRIQS-ctseg_J-3.3.x-63 c840c12d2bd2b5aca85e5f59ba85dcb347559d18

ctseg/3.3.x/ChangeLog.html

@@ -97,6 +97,7 @@
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/_modules/index.html

@@ -94,6 +94,7 @@
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/_modules/triqs_ctseg/solver.html

@@ -94,6 +94,7 @@
 <li class="toctree-l5"><a class="reference internal" href="../../guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../../guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../../guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="../../guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../../guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/_ref/triqs_ctseg.solver.Solver.D0_tau.html

@@ -99,6 +99,7 @@
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/_ref/triqs_ctseg.solver.Solver.Delta_tau.html

@@ -99,6 +99,7 @@
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/_ref/triqs_ctseg.solver.Solver.Jperp_tau.html

@@ -99,6 +99,7 @@
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/_ref/triqs_ctseg.solver.Solver.__init__.html

@@ -97,6 +97,7 @@
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/_ref/triqs_ctseg.solver.Solver.constr_params.html

@@ -97,6 +97,7 @@
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/_ref/triqs_ctseg.solver.Solver.html

@@ -99,6 +99,7 @@
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/_ref/triqs_ctseg.solver.Solver.results.html

@@ -97,6 +97,7 @@
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/_ref/triqs_ctseg.solver.Solver.solve.html

@@ -97,6 +97,7 @@
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/_ref/triqs_ctseg.solver.Solver.solve_params.html

@@ -97,6 +97,7 @@
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/_sources/algorithm_implementation/implementation_notes.rst.txt

@@ -121,6 +121,7 @@ Automatic tests
 ***************
 
 Several automatic tests are supplied with CTSEG. They run short simulations to assess whether the software functions correctly.
+
 * ``anderson.py``, ``dynamical_U.py``, ``Jperp.py``, ``spin_spin.py`` and ``multiorb.py`` are non-regression tests, that compare their results to a reference generated by CTSEG itself. 
   They cover most situations that might be handled by CTSEG: single or multiple orbitals, static, dynamic or spin-spin interactions. 
   In addition, two tests written directly in C++, ``anderson.cpp`` and ``spin_spin.cpp``, are supplied for developers who may wish to check for non-regression without re-generating the Python wrapper. 

ctseg/3.3.x/_sources/guide/step_by_step.rst.txt

@@ -22,11 +22,9 @@ They can be conveniently supplied as a Python dictionary::
 
 * ``beta`` is the inverse temperature. 
 
-* ``n_tau`` is the number of points of the imaginary time grid on which the input hybridization :math:`\Delta(\tau)` is sampled. 
-    It is also the default number of samples for the measured fermionic two-point functions. 
+* ``n_tau`` is the number of points of the imaginary time grid on which the input hybridization :math:`\Delta(\tau)` is sampled. It is also the default number of samples for the measured fermionic two-point functions. 
 
-* ``n_tau_bosonic`` is the number of points of the imaginary time grid on which the bosonic two-point function inputs (:math:`D_0(\tau)` and :math:`\mathcal{J}_{\perp}(\tau)`) are sampled. 
-    It is also the default number of samples for the measured bosonic two-point functions. 
+* ``n_tau_bosonic`` is the number of points of the imaginary time grid on which the bosonic two-point function inputs (:math:`D_0(\tau)` and :math:`\mathcal{J}_{\perp}(\tau)`) are sampled. It is also the default number of samples for the measured bosonic two-point functions. 
 
 Green's function structure
 --------------------------
@@ -244,6 +242,19 @@ The solver is then accordingly set up as::
 The value of ``n_tau_bosonic`` supplied in the ``constr_params`` and the number of points in the :math:`\tau` grids of
 the :math:`D(\tau)` and :math:`J_{\perp}(\tau)` inputs must match. 
 
+Conditions for half-filling
+---------------------------
+
+For a particle-hole symmetric, spin-symmetric single-orbital problem, the following values of the chemical potential correspond to half-filling (assuming that the orbital energy ``eps`` is 0):
+
+* In the absence of dynamical density-density interaction: :math:`\mu = U/2`. 
+
+* In the presence of a dynamical density-density interaction :math:`D_{\sigma \sigma'} (\tau)` and possibly a perpendicular spin-spin interaction :math:`J_{\perp}(\tau)`: 
+
+.. math::
+    
+    \mu = \frac{U + [D_{\uparrow\uparrow} + D_{\uparrow \downarrow}](i\omega_n = 0)}{2}
+
 Solve parameters
 ----------------
 

ctseg/3.3.x/about.html

@@ -96,6 +96,7 @@
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/algorithm_implementation/ctseg.html

@@ -99,6 +99,7 @@
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/algorithm_implementation/implementation_notes.html

@@ -99,6 +99,7 @@
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="../guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>
@@ -317,13 +318,11 @@ <h2>Miscellaneous<a class="headerlink" href="#miscellaneous" title="Link to this
 </section>
 <section id="automatic-tests">
 <h2>Automatic tests<a class="headerlink" href="#automatic-tests" title="Link to this heading"></a></h2>
-<p>Several automatic tests are supplied with CTSEG. They run short simulations to assess whether the software functions correctly.
-* <code class="docutils literal notranslate"><span class="pre">anderson.py</span></code>, <code class="docutils literal notranslate"><span class="pre">dynamical_U.py</span></code>, <code class="docutils literal notranslate"><span class="pre">Jperp.py</span></code>, <code class="docutils literal notranslate"><span class="pre">spin_spin.py</span></code> and <code class="docutils literal notranslate"><span class="pre">multiorb.py</span></code> are non-regression tests, that compare their results to a reference generated by CTSEG itself.</p>
-<blockquote>
-<div><p>They cover most situations that might be handled by CTSEG: single or multiple orbitals, static, dynamic or spin-spin interactions.
-In addition, two tests written directly in C++, <code class="docutils literal notranslate"><span class="pre">anderson.cpp</span></code> and <code class="docutils literal notranslate"><span class="pre">spin_spin.cpp</span></code>, are supplied for developers who may wish to check for non-regression without re-generating the Python wrapper.</p>
-</div></blockquote>
+<p>Several automatic tests are supplied with CTSEG. They run short simulations to assess whether the software functions correctly.</p>
 <ul class="simple">
+<li><p><code class="docutils literal notranslate"><span class="pre">anderson.py</span></code>, <code class="docutils literal notranslate"><span class="pre">dynamical_U.py</span></code>, <code class="docutils literal notranslate"><span class="pre">Jperp.py</span></code>, <code class="docutils literal notranslate"><span class="pre">spin_spin.py</span></code> and <code class="docutils literal notranslate"><span class="pre">multiorb.py</span></code> are non-regression tests, that compare their results to a reference generated by CTSEG itself.
+They cover most situations that might be handled by CTSEG: single or multiple orbitals, static, dynamic or spin-spin interactions.
+In addition, two tests written directly in C++, <code class="docutils literal notranslate"><span class="pre">anderson.cpp</span></code> and <code class="docutils literal notranslate"><span class="pre">spin_spin.cpp</span></code>, are supplied for developers who may wish to check for non-regression without re-generating the Python wrapper.</p></li>
 <li><p><code class="docutils literal notranslate"><span class="pre">dimer.py</span></code> may be used to check the correctness of CTSEG on an exactly solvable problem (two impurity sites coupled to two bath sites). The reference data can be found
 in <code class="docutils literal notranslate"><span class="pre">dimer_pyed.ref.h5</span></code>. A meaningful comparison to the reference requires a long solver run (for this particular problem, the result can have significant fluctuations between machines for short runs).
 Such a long run is not carried out as part of the automatic testing procedure and should be set up by the user if an in-depth assessment of correctness is required.</p></li>

ctseg/3.3.x/documentation.html

@@ -97,6 +97,7 @@
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/genindex.html

@@ -94,6 +94,7 @@
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="guide/step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>

ctseg/3.3.x/guide/measurements.html

@@ -99,6 +99,7 @@
 <li class="toctree-l5"><a class="reference internal" href="step_by_step.html#hybridization-function">Hybridization function</a></li>
 <li class="toctree-l5"><a class="reference internal" href="step_by_step.html#dynamical-density-density-interaction">Dynamical density-density interaction</a></li>
 <li class="toctree-l5"><a class="reference internal" href="step_by_step.html#spin-spin-interaction">Spin-spin interaction</a></li>
+<li class="toctree-l5"><a class="reference internal" href="step_by_step.html#conditions-for-half-filling">Conditions for half-filling</a></li>
 <li class="toctree-l5"><a class="reference internal" href="step_by_step.html#solve-parameters">Solve parameters</a></li>
 </ul>
 </li>