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<a class="level2" href="create_a_crystal_den_file_f90.html">Basics of file creation</a>
<a class="level2" href="read_write_sub_access_f90.html">Sub-access on k points and spin</a>
<a class="level2" href="convert_to_xyz_f90.html">Converter and validity checks</a>
<a class="level2" href="MPI_output_of_a_density_f90.html">Use MPI and split capabilities</a>
<a class="level2" href="mix_ETSF_and_non_ETSF_f90.html">Mix ETSF and non-ETSF variables</a>
<a class="level2" href="read_a_file_f90.html">Simple read of wavefunctions</a>
<a href="../utils/binary.html">Binary utility</a>
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<p>Tutorials are directly Fortran source code, highly commented, located in <code>src/tutorials</code>. These codes can be compiled and executed to create example files. The HTML tutorials are a pretty printing of these source files. Each HTML file contains a short introduction to explain the objectives of the tutorial and then follow the source code, regularly interrupted by notes and comments.</p>
<h1>Tutorial 1 - basics of file creation</h1>
<p><a href="create_a_crystal_den_file_f90.html">The first tutorial</a> is intended to explain the basics and the philosophy of this library. It details the first steps required to create a density file, using high level routines (<code>etsf_io_data_<action></code>). It shows how to use the pointers and the unformatted ones (used to map any shape arrays between the ETSF definition and the main program memory).</p>
<h1>Tutorial 2 - advanced writing, sub-access on k point and spin</h1>
<p><a href="read_write_sub_access_f90.html">The second tutorial</a> introduces the group level routines and explain how to access only sub part of arrays. This sub access is possible when one array has a dimension on spin or k points. Then one can access data for one k point or spin at a time. This is controlled by some attributes in the concerned groups, called <code><short_var_name>__[spin|kpoint]_access</code>. In this tutorial a wave-function file is created and the coefficients of wave-functions are written for one k point at a time.</p>
<h1>Tutorial 3 - a converter tool, usage of validity checks</h1>
<p><a href="convert_to_xyz_f90.html">The third tutorial</a> shows how to use high level modules <a href="../utils/etsf_io_file_f90.html">etsf_io_file</a> and <a href="../utils/etsf_io_tools_f90.html">etsf_io_tools</a> to check the conformance of an input ETSF file on cristalographic specifications and then to read atomic coordinates and names to create a simple XYZ file.</p>
<h1>Tutorial 4 - how to use split capabilities in conjonction with MPI?</h1>
<p><a href="MPI_output_of_a_density_f90.html">The fourth tutorial</a> shows how to use the split definitions as defined in the specifications to handle MPI computations. This is possible with the help of the <a href="../group_level/etsf_io_f90.html#robo107">etsf_split</a> structure. This tutorial create a density file with a paralelisation on z planes. Each process compute a gaussian in its own z planes and create an ETSF file with a split on <em>number_of_grid_points_vector3</em>. Thanks to <a href="../utils/binary.html"><code>etsf_io</code></a> the created files can be then gathered into one unique file.</p>
<h1>Tutorial 5 - mixing ETSF and non-ETSF variables in file creation (tutorial 1 enhancement)</h1>
<p><a href="mix_ETSF_and_non_ETSF_f90.html">The fifth tutorial</a> is not focus on the low level API but it uses it in several areas. This tutorial shows how to write an ETSF file with additional non-ETSF variables. These variables are defined and written directly by using the low level API. Besides it also shows how to use the etsf_io_<group>_put() methods in the context of a concurrent list of ETSF and non-ETSF variables.</p>
<h1>Tutorial 6 - simple read of a wavefunction file
(continuation of tutorial 2)</h1>
<p><a href="read_a_file_f90.html">The sixth tutorial</a>
introduces the read actions in a simple case. Here, we know that the
file should contains the variables of a wavefunction description. This
tutorial uses the file created by tutorial 2 but does not read it with
sub access. Everything is read once as a bloc.</p>
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<p>Manually maintained file, last edition 2007-07-04 by Damien Caliste.</p>
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