3
0
mirror of https://github.com/triqs/dft_tools synced 2024-10-31 19:23:45 +01:00

doc: fixed a few typos+ put back tutorial for arrays+changed a few titles

This commit is contained in:
tayral 2013-09-12 14:06:00 +01:00 committed by Michel Ferrero
parent 84df58aad7
commit e0f0c85c3d
7 changed files with 14 additions and 13 deletions

View File

@ -2,7 +2,7 @@ Multidimensional arrays
******************************************* *******************************************
.. warning:: .. warning::
This library is of stable quality, except when mentionned otherwise (for some recent features). This library is of stable quality, except when otherwise stated(for some recent features).
Documentation is still work in progress. Documentation is still work in progress.

View File

@ -1,7 +1,7 @@
.. highlight:: c .. highlight:: c
A simple C++ code Writing you own C++ code with TRIQS
-------------------- ------------------------------------
Basically, this structure means that you have successfully installed TRIQS in Basically, this structure means that you have successfully installed TRIQS in
:file:`/home/triqs/install` and that you plan to have your new project under :file:`/home/triqs/install` and that you plan to have your new project under
:file:`/home/project`. Obviously you can choose any other directory but this :file:`/home/project`. Obviously you can choose any other directory but this
@ -86,9 +86,9 @@ That's it! You can modify your sources and then recompile with make. Obviously
with bigger projects your :file:`CMakeLists.txt` file will change, but the with bigger projects your :file:`CMakeLists.txt` file will change, but the
principle remains the same. principle remains the same.
A simple C++ code, with its tests and documentation A simple C++ project, with its tests and documentation
------------------------------------------------------ ------------------------------------------------------
A mixed C++/Python code A mixed C++/Python project
------------------------------ ------------------------------

View File

@ -3,6 +3,7 @@ Using arrays
.. highlight:: c .. highlight:: c
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.
Declaring and printing an array Declaring and printing an array
@ -172,4 +173,4 @@ Map and fold
std::cout << "F(2*A) = "<<C<<std::endl; std::cout << "F(2*A) = "<<C<<std::endl;
} }
The full reference of the array library can be found :doc:`here: <../../reference/c++/arrays/contents>`

View File

@ -8,7 +8,7 @@ C++ libraries
.. toctree:: .. toctree::
:maxdepth: 1 :maxdepth: 1
array_tutorial
.. ..
array_tutorial

View File

@ -1,6 +1,6 @@
.. _ipt: .. _ipt:
Iterated perturbation theory: an extended DMFT example Iterated perturbation theory: an more elaborate DMFT example
======================================================== ========================================================
Introduction Introduction

View File

@ -3,7 +3,7 @@
Tour 1: Manipulations with local Green functions Tour 1: Manipulations with local Green functions
------------------------------------------------ ------------------------------------------------
Let use start with a problem of free electrons : an impurity `d` Let us start with a problem of free electrons: an impurity `d`
level embedded in a flat conduction bath :math:`\Delta` of `s`-electrons. level embedded in a flat conduction bath :math:`\Delta` of `s`-electrons.
To construct and plot the corresponding 2x2 Green's function: To construct and plot the corresponding 2x2 Green's function:
@ -12,7 +12,7 @@ To construct and plot the corresponding 2x2 Green's function:
\hat{G}^\mathrm{s+d} ( \omega) = \begin{pmatrix} \omega - \epsilon_d & V \\ V & \Delta^{-1} \end{pmatrix}^{-1} \hat{G}^\mathrm{s+d} ( \omega) = \begin{pmatrix} \omega - \epsilon_d & V \\ V & \Delta^{-1} \end{pmatrix}^{-1}
we first create the corresponding energy we first create the corresponding energy
mesh `a` on the real axis in the energy interval :math:`\omega \in (-2:2]` mesh on the real axis in the energy interval :math:`\omega \in (-2:2]`.
The Green's function is generated using classes of the ``gf.local`` module by setting up The Green's function is generated using classes of the ``gf.local`` module by setting up
:math:`\left[\hat{G}^\mathrm{s+d}\right]^{-1}` and inverting it. :math:`\left[\hat{G}^\mathrm{s+d}\right]^{-1}` and inverting it.
Finally, the obtained bath and impurity densities of states are plotted using the TRIQS function ``oplot``: Finally, the obtained bath and impurity densities of states are plotted using the TRIQS function ``oplot``:

View File

@ -12,16 +12,16 @@ In the case of Bethe lattice the dynamical mean-field theory (DMFT) self-consist
G^{-1}_{0,\sigma} (i \omega_n) = i \omega_n + \mu - t^2 G_{\sigma} (i \omega_n). G^{-1}_{0,\sigma} (i \omega_n) = i \omega_n + \mu - t^2 G_{\sigma} (i \omega_n).
Hence, from a strictly technical point of view, in this case DMFT cycle can be implemented by modifying Hence, from a strictly technical point of view, in this case the DMFT cycle can be implemented by modifying
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`. 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`.
Here is a complete program doing this plain vanilla DMFT on a half-filled one-band Bethe lattice: Here is a complete program doing this plain-vanilla DMFT on a half-filled one-band Bethe lattice:
.. literalinclude:: ./single_site_bethe.py .. literalinclude:: ./single_site_bethe.py
A general introduction to DMFT calculations with TRIQS can be found :ref:`here <dmftloop>` A general introduction to DMFT calculations with TRIQS can be found :ref:`here <dmftloop>`.
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. 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.