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doc: fixed a few typos+ put back tutorial for arrays+changed a few titles
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@ -2,7 +2,7 @@ Multidimensional arrays
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*******************************************
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*******************************************
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.. warning::
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.. warning::
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This library is of stable quality, except when mentionned otherwise (for some recent features).
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This library is of stable quality, except when otherwise stated(for some recent features).
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Documentation is still work in progress.
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Documentation is still work in progress.
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@ -1,7 +1,7 @@
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.. highlight:: c
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.. highlight:: c
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A simple C++ code
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Writing you own C++ code with TRIQS
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--------------------
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------------------------------------
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Basically, this structure means that you have successfully installed TRIQS in
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Basically, this structure means that you have successfully installed TRIQS in
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:file:`/home/triqs/install` and that you plan to have your new project under
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:file:`/home/triqs/install` and that you plan to have your new project under
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:file:`/home/project`. Obviously you can choose any other directory but this
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:file:`/home/project`. Obviously you can choose any other directory but this
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@ -86,9 +86,9 @@ That's it! You can modify your sources and then recompile with make. Obviously
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with bigger projects your :file:`CMakeLists.txt` file will change, but the
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with bigger projects your :file:`CMakeLists.txt` file will change, but the
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principle remains the same.
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principle remains the same.
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A simple C++ code, with its tests and documentation
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A simple C++ project, with its tests and documentation
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------------------------------------------------------
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------------------------------------------------------
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A mixed C++/Python code
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A mixed C++/Python project
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------------------------------
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------------------------------
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@ -3,6 +3,7 @@ Using arrays
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.. highlight:: c
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.. highlight:: c
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TRIQS comes with a library of multidimensional arrays. This library, among others, allows for easy slicing, archiving and algebraic manipulations of multidimensional arrays. Here are a couple of simple examples showing the basic use of this class.
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Declaring and printing an array
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Declaring and printing an array
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@ -172,4 +173,4 @@ Map and fold
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std::cout << "F(2*A) = "<<C<<std::endl;
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std::cout << "F(2*A) = "<<C<<std::endl;
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}
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}
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The full reference of the array library can be found :doc:`here: <../../reference/c++/arrays/contents>`
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@ -8,7 +8,7 @@ C++ libraries
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.. toctree::
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.. toctree::
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:maxdepth: 1
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:maxdepth: 1
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array_tutorial
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..
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..
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array_tutorial
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@ -1,6 +1,6 @@
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.. _ipt:
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.. _ipt:
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Iterated perturbation theory: an extended DMFT example
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Iterated perturbation theory: an more elaborate DMFT example
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========================================================
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========================================================
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Introduction
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Introduction
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@ -3,7 +3,7 @@
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Tour 1: Manipulations with local Green functions
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Tour 1: Manipulations with local Green functions
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------------------------------------------------
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------------------------------------------------
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Let use start with a problem of free electrons : an impurity `d`
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Let us start with a problem of free electrons: an impurity `d`
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level embedded in a flat conduction bath :math:`\Delta` of `s`-electrons.
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level embedded in a flat conduction bath :math:`\Delta` of `s`-electrons.
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To construct and plot the corresponding 2x2 Green's function:
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To construct and plot the corresponding 2x2 Green's function:
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@ -12,7 +12,7 @@ To construct and plot the corresponding 2x2 Green's function:
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\hat{G}^\mathrm{s+d} ( \omega) = \begin{pmatrix} \omega - \epsilon_d & V \\ V & \Delta^{-1} \end{pmatrix}^{-1}
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\hat{G}^\mathrm{s+d} ( \omega) = \begin{pmatrix} \omega - \epsilon_d & V \\ V & \Delta^{-1} \end{pmatrix}^{-1}
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we first create the corresponding energy
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we first create the corresponding energy
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mesh `a` on the real axis in the energy interval :math:`\omega \in (-2:2]`
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mesh on the real axis in the energy interval :math:`\omega \in (-2:2]`.
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The Green's function is generated using classes of the ``gf.local`` module by setting up
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The Green's function is generated using classes of the ``gf.local`` module by setting up
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:math:`\left[\hat{G}^\mathrm{s+d}\right]^{-1}` and inverting it.
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:math:`\left[\hat{G}^\mathrm{s+d}\right]^{-1}` and inverting it.
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Finally, the obtained bath and impurity densities of states are plotted using the TRIQS function ``oplot``:
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Finally, the obtained bath and impurity densities of states are plotted using the TRIQS function ``oplot``:
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@ -12,16 +12,16 @@ In the case of Bethe lattice the dynamical mean-field theory (DMFT) self-consist
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G^{-1}_{0,\sigma} (i \omega_n) = i \omega_n + \mu - t^2 G_{\sigma} (i \omega_n).
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G^{-1}_{0,\sigma} (i \omega_n) = i \omega_n + \mu - t^2 G_{\sigma} (i \omega_n).
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Hence, from a strictly technical point of view, in this case DMFT cycle can be implemented by modifying
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Hence, from a strictly technical point of view, in this case the DMFT cycle can be implemented by modifying
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the previous single-impurity example to the case of a bath with semi-circular density of states and adding a python loop to update :math:`G_0` as function of :math:`G`.
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the previous single-impurity example to the case of a bath with semi-circular density of states and adding a python loop to update :math:`G_0` as function of :math:`G`.
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Here is a complete program doing this plain vanilla DMFT on a half-filled one-band Bethe lattice:
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Here is a complete program doing this plain-vanilla DMFT on a half-filled one-band Bethe lattice:
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.. literalinclude:: ./single_site_bethe.py
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.. literalinclude:: ./single_site_bethe.py
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A general introduction to DMFT calculations with TRIQS can be found :ref:`here <dmftloop>`
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A general introduction to DMFT calculations with TRIQS can be found :ref:`here <dmftloop>`.
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Chapter :ref:`Wien2TRIQS <Wien2k>` discusses the TRIQS implementation for DMFT calculations of real materials and the interface between TRIQS and the Wien2k band structure code.
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Chapter :ref:`Wien2TRIQS <Wien2k>` discusses the TRIQS implementation for DMFT calculations of real materials and the interface between TRIQS and the Wien2k band structure code.
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